(3-acetyloxy-6-methoxy-benzo[a]pyren-1-yl) ethanoate

Systemtic Name: (3-acetyloxy-6-methoxy-benzo[a]pyren-1-yl) ethanoate Openeye Name: (3-acetoxy-6-methoxy-benzo[a]pyren-1-yl) acetate CAS Name: acetic acid (3-acetyloxy-6-methoxy-1-benzo[a]pyrenyl) ester IUPAC Name: (3-acetyloxy-6-methoxybenzo[a]pyren-1-yl) acetate Traditional Name: acetic acid (3-acetoxy-6-methoxy-benzo[a]pyren-1-yl) ester Formula: C25H18O5 MolecularWeight: 398.40742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=C2C=CC3=C(C4=CC=CC=C4C5=C3C2=C1C=C5)OC)OC(=O)C

Isomeric SMILES

CC(=O)OC1=CC(=C2C=CC3=C(C4=CC=CC=C4C5=C3C2=C1C=C5)OC)OC(=O)C

InChI

InChI=1S/C25H18O5/c1-13(26)29-21-12-22(30-14(2)27)19-10-11-20-23-16(8-9-18(21)24(19)23)15-6-4-5-7-17(15)25(20)28-3/h4-12H,1-3H3