23675763
 OpenBabel05082101102D

 41 42  0  0  0  0  0  0  0  0999 V2000
   10.6350   -3.1182    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6960    3.6563    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0531   -3.0376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3638    2.9120    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.0746    1.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -1.3428    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    0.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -0.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939   -0.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210   -2.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995   -2.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0531    1.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3673   -1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102   -3.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3458   -1.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9887   -3.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6565   -2.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2679    0.9252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1035    1.7051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939   -1.1581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6139   -0.5381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939    0.0819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.3481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1747   -1.1659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5961   -3.9115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1813   -4.2456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.4989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.5750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  3 17  1  0  0  0  0
  3 26  1  0  0  0  0
  4 16  2  0  0  0  0
  5 20  1  0  0  0  0
  6 20  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 20  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 17  2  0  0  0  0
 13 29  1  0  0  0  0
 14 18  2  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 34  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 35  1  0  0  0  0
 22 24  2  0  0  0  0
 22 36  1  0  0  0  0
 23 25  2  0  0  0  0
 23 37  1  0  0  0  0
 24 25  1  0  0  0  0
 24 38  1  0  0  0  0
 26 39  1  0  0  0  0
 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
M  CHG  2   2   1   5  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
23675763

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
512

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6OCAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgIAAAAADA6BniIyzvMMFACoAyXyXACCiCAlJyAImCE2btgMJvLFt5uEMShkxBHI6Ye82fOehEABAAACAAAIgAIAAAQAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate

>  <PUBCHEM_IUPAC_CAS_NAME>
sodium;2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate

>  <PUBCHEM_IUPAC_NAME>
sodium;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H16ClNO4.Na/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12;/h3-9H,10H2,1-2H3,(H,22,23);/q;+1/p-1

>  <PUBCHEM_IUPAC_INCHIKEY>
JMHRGKDWGWORNU-UHFFFAOYSA-M

>  <PUBCHEM_EXACT_MASS>
379.05873

>  <PUBCHEM_MOLECULAR_FORMULA>
C19H15ClNNaO4

>  <PUBCHEM_MOLECULAR_WEIGHT>
379.8

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)[O-].[Na+]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)[O-].[Na+]

>  <PUBCHEM_CACTVS_TPSA>
71.4

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
379.05873

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
26

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
2

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_NONSTANDARDBOND>
2  5  7

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
10  14  8
13  17  8
14  18  8
17  18  8
19  21  8
19  22  8
21  23  8
22  24  8
23  25  8
24  25  8
7  10  8
7  11  8
8  11  8
8  9  8
9  10  8
9  13  8

$$$$
