(7,8-diacetyloxybenzo[a]pyren-3-yl) ethanoate

Systemtic Name: (7,8-diacetyloxybenzo[a]pyren-3-yl) ethanoate Openeye Name: (7,8-diacetoxybenzo[a]pyren-3-yl) acetate CAS Name: acetic acid (7,8-diacetyloxy-3-benzo[a]pyrenyl) ester IUPAC Name: (7,8-diacetyloxybenzo[a]pyren-3-yl) acetate Traditional Name: acetic acid (7,8-diacetoxybenzo[a]pyren-3-yl) ester Formula: C26H18O6 MolecularWeight: 426.41752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C2C=CC3=CC4=C(C=CC(=C4OC(=O)C)OC(=O)C)C5=C3C2=C(C=C5)C=C1

Isomeric SMILES

CC(=O)OC1=C2C=CC3=CC4=C(C=CC(=C4OC(=O)C)OC(=O)C)C5=C3C2=C(C=C5)C=C1

InChI

InChI=1S/C26H18O6/c1-13(27)30-22-10-6-16-4-7-19-18-9-11-23(31-14(2)28)26(32-15(3)29)21(18)12-17-5-8-20(22)24(16)25(17)19/h4-12H,1-3H3