(4,5,6-triacetyloxybenzo[a]pyren-3-yl) ethanoate

Systemtic Name: (4,5,6-triacetyloxybenzo[a]pyren-3-yl) ethanoate Openeye Name: (4,5,6-triacetoxybenzo[a]pyren-3-yl) acetate CAS Name: acetic acid (4,5,6-triacetyloxy-3-benzo[a]pyrenyl) ester IUPAC Name: (4,5,6-triacetyloxybenzo[a]pyren-3-yl) acetate Traditional Name: acetic acid (4,5,6-triacetoxybenzo[a]pyren-3-yl) ester Formula: C28H20O8 MolecularWeight: 484.4536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C2C3=C(C=CC4=C3C(=C(C5=CC=CC=C45)OC(=O)C)C(=C2OC(=O)C)OC(=O)C)C=C1

Isomeric SMILES

CC(=O)OC1=C2C3=C(C=CC4=C3C(=C(C5=CC=CC=C45)OC(=O)C)C(=C2OC(=O)C)OC(=O)C)C=C1

InChI

InChI=1S/C28H20O8/c1-13(29)33-21-12-10-17-9-11-19-18-7-5-6-8-20(18)26(34-14(2)30)25-23(19)22(17)24(21)27(35-15(3)31)28(25)36-16(4)32/h5-12H,1-4H3