3-benzo[b]pyren-6-ylpropanoic acid

Systemtic Name: 3-benzo[b]pyren-6-ylpropanoic acid Openeye Name: 3-benzo[b]pyren-6-ylpropanoic acid CAS Name: 3-(6-benzo[b]pyrenyl)propanoic acid IUPAC Name: 3-benzo[b]pyren-6-ylpropanoic acid Traditional Name: 3-benzo[b]pyren-6-ylpropionic acid Formula: C23H16O2 MolecularWeight: 324.37194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C2CCC(=O)O)C=CC5=CC=CC(=C54)C=C3

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C2CCC(=O)O)C=CC5=CC=CC(=C54)C=C3

InChI

InChI=1S/C23H16O2/c24-21(25)13-12-18-16-6-1-2-7-17(16)19-10-8-14-4-3-5-15-9-11-20(18)23(19)22(14)15/h1-11H,12-13H2,(H,24,25)