Marvin  02260622112D          

 34 41  0  0  0  0            999 V2000
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   -2.0351    0.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7497   -1.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0351   -1.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6062    0.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3952   -1.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6806    0.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6806    1.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1096    0.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3950    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1095    1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3949    2.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8240    1.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1094    2.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8239    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8237    3.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1093    3.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5383    2.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5382    3.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 10  2  0  0  0  0
  9  8  2  0  0  0  0
 11  9  1  0  0  0  0
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 17 18  2  0  0  0  0
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 33 34  1  0  0  0  0
M  END
> <ID>
CHEBI:33160

> <NAME>
octaphene

> <STAR>
3

> <IUPAC_NAME>
octaphene

> <FORMULA>
C34H20

> <MASS>
428.52260

> <MONOISOTOPIC_MASS>
428.15650

> <CHARGE>
0

> <SMILES>
c1ccc2cc3cc4cc5c(ccc6cc7cc8ccccc8cc7cc56)cc4cc3cc2c1

> <INCHI>
InChI=1S/C34H20/c1-2-7-23-13-29-18-32-20-34-26(16-30(32)17-28(29)12-22(23)6-1)10-9-25-15-27-11-21-5-3-4-8-24(21)14-31(27)19-33(25)34/h1-20H

> <INCHIKEY>
WTFQBTLMPISHTA-UHFFFAOYSA-N

$$$$