(6-methoxybenzo[a]pyren-3-yl) ethanoate

Systemtic Name: (6-methoxybenzo[a]pyren-3-yl) ethanoate Openeye Name: (6-methoxybenzo[a]pyren-3-yl) acetate CAS Name: acetic acid (6-methoxy-3-benzo[a]pyrenyl) ester IUPAC Name: (6-methoxybenzo[a]pyren-3-yl) acetate Traditional Name: acetic acid (6-methoxybenzo[a]pyren-3-yl) ester Formula: C23H16O3 MolecularWeight: 340.37134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C2C=CC3=C(C4=CC=CC=C4C5=C3C2=C(C=C5)C=C1)OC

Isomeric SMILES

CC(=O)OC1=C2C=CC3=C(C4=CC=CC=C4C5=C3C2=C(C=C5)C=C1)OC

InChI

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