5-benzo[b]pyren-6-ylpentanoic acid

Systemtic Name: 5-benzo[b]pyren-6-ylpentanoic acid Openeye Name: 5-benzo[b]pyren-6-ylpentanoic acid CAS Name: 5-(6-benzo[b]pyrenyl)pentanoic acid IUPAC Name: 5-benzo[b]pyren-6-ylpentanoic acid Traditional Name: 5-benzo[b]pyren-6-ylvaleric acid Formula: C25H20O2 MolecularWeight: 352.4251

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C2CCCCC(=O)O)C=CC5=CC=CC(=C54)C=C3

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C2CCCCC(=O)O)C=CC5=CC=CC(=C54)C=C3

InChI

InChI=1S/C25H20O2/c26-23(27)11-4-3-10-20-18-8-1-2-9-19(18)21-14-12-16-6-5-7-17-13-15-22(20)25(21)24(16)17/h1-2,5-9,12-15H,3-4,10-11H2,(H,26,27)