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benzo[a]pyrene-7,8-dicarboxylic acid

benzo[a]pyrene-7,8-dicarboxylic acid

Systemtic Name:benzo[a]pyrene-7,8-dicarboxylic acid
Openeye Name:benzo[a]pyrene-7,8-dicarboxylic acid
CAS Name:benzo[a]pyrene-7,8-dicarboxylic acid
IUPAC Name:benzo[a]pyrene-7,8-dicarboxylic acid
Traditional Name:benzo[a]pyrene-7,8-dicarboxylic acid
Formula: C22H12O4
MolecularWeight: 340.32828
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC(=C5C(=O)O)C(=O)O)C=C2


Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC(=C5C(=O)O)C(=O)O)C=C2


InChI

InChI=1S/C22H12O4/c23-21(24)16-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-17(14)20(16)22(25)26/h1-10H,(H,23,24)(H,25,26)


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