2-benzo[e]pyren-4-ylethanoic acid

Systemtic Name: 2-benzo[e]pyren-4-ylethanoic acid Openeye Name: 2-benzo[e]pyren-4-ylacetic acid CAS Name: 2-(4-benzo[e]pyrenyl)acetic acid IUPAC Name: 2-benzo[e]pyren-4-ylacetic acid Traditional Name: 2-benzo[e]pyren-4-ylacetic acid Formula: C22H14O2 MolecularWeight: 310.34536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=CC=C3)C(=CC5=C4C2=CC=C5)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=CC=C3)C(=CC5=C4C2=CC=C5)CC(=O)O

InChI

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