443314
 OpenBabel05082101102D

 86 86  0  0  1  0  0  0  0  0999 V2000
    7.5961   -4.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0270   -4.2860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6993   -6.3551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9210   -2.5072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6531   -1.5072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896   -5.3152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9250   -8.9912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3852    0.4928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0550   -0.0072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5191    1.9928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7871   -4.0072    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9781   -4.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2871   -5.5461    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7871   -3.0072    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2871   -5.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6531   -2.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2839   -4.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1060   -7.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9210   -1.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3328   -4.6461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5191   -1.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0550   -1.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9832    4.9928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9832    5.9928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1172    4.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5191   -0.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8493    6.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1172    3.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9086   -0.1149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3293    2.9102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7278    3.6004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2387    7.3851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0391    3.5754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6406    2.8851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9273    7.4102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3259    8.1004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -5.1236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5032    9.5754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
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  3 13  1  0  0  0  0
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M  END
>  <PUBCHEM_COMPOUND_CID>
443314

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
507

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

>  <PUBCHEM_CACTVS_HBOND_DONOR>
3

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
26

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4PAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAABgAIAACQCAAAAAAAAAAAAAEAAAABEBIAAAACAAAFAAADAAHI6KyAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[2-[3,4-bis(2-hydroxyethoxy)tetrahydrofuran-2-yl]-2-(2-hydroxyethoxy)ethoxy]ethyl dodecanoate

>  <PUBCHEM_IUPAC_CAS_NAME>
dodecanoic acid 2-[2-[3,4-bis(2-hydroxyethoxy)-2-oxolanyl]-2-(2-hydroxyethoxy)ethoxy]ethyl ester

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2-[2-[3,4-bis(2-hydroxyethoxy)oxolan-2-yl]-2-(2-hydroxyethoxy)ethoxy]ethyl dodecanoate

>  <PUBCHEM_IUPAC_NAME>
2-[2-[3,4-bis(2-hydroxyethoxy)oxolan-2-yl]-2-(2-hydroxyethoxy)ethoxy]ethyl dodecanoate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[2-[3,4-bis(2-hydroxyethyloxy)oxolan-2-yl]-2-(2-hydroxyethyloxy)ethoxy]ethyl dodecanoate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
lauric acid 2-[2-[3,4-bis(2-hydroxyethoxy)tetrahydrofuran-2-yl]-2-(2-hydroxyethoxy)ethoxy]ethyl ester

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H50O10/c1-2-3-4-5-6-7-8-9-10-11-24(30)34-19-18-31-20-22(32-15-12-27)26-25(35-17-14-29)23(21-36-26)33-16-13-28/h22-23,25-29H,2-21H2,1H3

>  <PUBCHEM_IUPAC_INCHIKEY>
HMFKFHLTUCJZJO-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
2.5

>  <PUBCHEM_EXACT_MASS>
522.340398

>  <PUBCHEM_MOLECULAR_FORMULA>
C26H50O10

>  <PUBCHEM_MOLECULAR_WEIGHT>
522.7

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCC(=O)OCCOCC(C1C(C(CO1)OCCO)OCCO)OCCO

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCC(=O)OCCOCC(C1C(C(CO1)OCCO)OCCO)OCCO

>  <PUBCHEM_CACTVS_TPSA>
133

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
522.340398

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
36

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
11  1  3
14  16  3
12  2  3
13  3  3

$$$$
