53423642
 OpenBabel05082101102D

 29 31  0  0  0  0  0  0  0  0999 V2000
    5.6650   -0.3390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0827    1.0383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5465   -1.4451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1650    1.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772    2.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4740    0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4251   -0.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1650    1.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    1.9044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8560    0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6330   -1.0383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9136    2.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9638   -1.7815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4638   -2.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1045    1.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4420   -2.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1344    2.2807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4063    2.6049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0447   -0.0386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5113    0.5538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5294    1.7015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2663    0.0572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0424    3.2540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3472   -1.7167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.5508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2117   -3.2139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6438    0.8314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9027   -2.8545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2  9  1  0  0  0  0
  2 16  1  0  0  0  0
  3 11  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  2  0  0  0  0
  5  9  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7 11  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 12  2  0  0  0  0
 10 23  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
53423642

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
244

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwMAAAAAAAAAAAAAAAAAAAASJEgAAAAAAAAAAAAAAB+AAAGgAAAAAADASgmAIwBIAABECIAqhSgAACCAAkIAAIiAEGCMgMJjaMNRqCOSCl4BEIqYfL7vzuAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2,4-bis(2-furylmethyl)furan

>  <PUBCHEM_IUPAC_CAS_NAME>
2,4-bis(2-furanylmethyl)furan

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2,4-bis(furan-2-ylmethyl)furan

>  <PUBCHEM_IUPAC_NAME>
2,4-bis(furan-2-ylmethyl)furan

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,4-bis(furan-2-ylmethyl)furan

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,4-bis(2-furfuryl)furan

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H12O3/c1-3-12(15-5-1)7-11-8-14(17-10-11)9-13-4-2-6-16-13/h1-6,8,10H,7,9H2

>  <PUBCHEM_IUPAC_INCHIKEY>
MLLNFQCJOXJITQ-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
3.1

>  <PUBCHEM_EXACT_MASS>
228.078644

>  <PUBCHEM_MOLECULAR_FORMULA>
C14H12O3

>  <PUBCHEM_MOLECULAR_WEIGHT>
228.24

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1=COC(=C1)CC2=CC(=CO2)CC3=CC=CO3

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1=COC(=C1)CC2=CC(=CO2)CC3=CC=CO3

>  <PUBCHEM_CACTVS_TPSA>
39.4

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
228.078644

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
17

>  <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>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
1  10  8
1  6  8
11  13  8
12  14  8
13  15  8
14  16  8
15  17  8
2  16  8
2  9  8
3  11  8
3  17  8
4  10  8
4  8  8
6  8  8
9  12  8

$$$$
