4-benzo[b]pyren-6-ylbutanoic acid

Systemtic Name: 4-benzo[b]pyren-6-ylbutanoic acid Openeye Name: 4-benzo[b]pyren-6-ylbutanoic acid CAS Name: 4-(6-benzo[b]pyrenyl)butanoic acid IUPAC Name: 4-benzo[b]pyren-6-ylbutanoic acid Traditional Name: 4-benzo[b]pyren-6-ylbutyric acid Formula: C24H18O2 MolecularWeight: 338.39852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C2CCCC(=O)O)C=CC5=CC=CC(=C54)C=C3

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C2CCCC(=O)O)C=CC5=CC=CC(=C54)C=C3

InChI

InChI=1S/C24H18O2/c25-22(26)10-4-9-19-17-7-1-2-8-18(17)20-13-11-15-5-3-6-16-12-14-21(19)24(20)23(15)16/h1-3,5-8,11-14H,4,9-10H2,(H,25,26)