2-benzo[b]pyren-6-ylethanoic acid

Systemtic Name: 2-benzo[b]pyren-6-ylethanoic acid Openeye Name: 2-benzo[b]pyren-6-ylacetic acid CAS Name: 2-(6-benzo[b]pyrenyl)acetic acid IUPAC Name: 2-benzo[b]pyren-6-ylacetic acid Traditional Name: 2-benzo[b]pyren-6-ylacetic acid Formula: C22H14O2 MolecularWeight: 310.34536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C2CC(=O)O)C=CC5=CC=CC(=C54)C=C3

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C2CC(=O)O)C=CC5=CC=CC(=C54)C=C3

InChI

InChI=1S/C22H14O2/c23-20(24)12-19-16-7-2-1-6-15(16)17-10-8-13-4-3-5-14-9-11-18(19)22(17)21(13)14/h1-11H,12H2,(H,23,24)