(7-acetyloxybenzo[a]pyren-8-yl) ethanoate

Systemtic Name: (7-acetyloxybenzo[a]pyren-8-yl) ethanoate Openeye Name: (7-acetoxybenzo[a]pyren-8-yl) acetate CAS Name: acetic acid (7-acetyloxy-8-benzo[a]pyrenyl) ester IUPAC Name: (7-acetyloxybenzo[a]pyren-8-yl) acetate Traditional Name: acetic acid (7-acetoxybenzo[a]pyren-8-yl) ester Formula: C24H16O4 MolecularWeight: 368.38144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C2=C(C=C1)C3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C2=C(C=C1)C3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3)OC(=O)C

InChI

InChI=1S/C24H16O4/c1-13(25)27-21-11-10-18-19-9-8-16-5-3-4-15-6-7-17(23(19)22(15)16)12-20(18)24(21)28-14(2)26/h3-12H,1-2H3