(6-methoxybenzo[a]pyren-12-yl) ethanoate

Systemtic Name: (6-methoxybenzo[a]pyren-12-yl) ethanoate Openeye Name: (6-methoxybenzo[a]pyren-12-yl) acetate CAS Name: acetic acid (6-methoxy-12-benzo[a]pyrenyl) ester IUPAC Name: (6-methoxybenzo[a]pyren-12-yl) acetate Traditional Name: acetic acid (6-methoxybenzo[a]pyren-12-yl) ester Formula: C23H16O3 MolecularWeight: 340.37134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C3C(=C(C4=CC=CC=C42)OC)C=CC5=C3C1=CC=C5

Isomeric SMILES

CC(=O)OC1=CC2=C3C(=C(C4=CC=CC=C42)OC)C=CC5=C3C1=CC=C5

InChI

InChI=1S/C23H16O3/c1-13(24)26-20-12-19-15-7-3-4-8-16(15)23(25-2)18-11-10-14-6-5-9-17(20)21(14)22(18)19/h3-12H,1-2H3