(3,7,8-trimethoxy-11,12-dihydrobenzo[b]pyren-6-yl) ethanoate

Systemtic Name: (3,7,8-trimethoxy-11,12-dihydrobenzo[b]pyren-6-yl) ethanoate Openeye Name: (3,7,8-trimethoxy-11,12-dihydrobenzo[b]pyren-6-yl) acetate CAS Name: acetic acid (3,7,8-trimethoxy-11,12-dihydrobenzo[b]pyren-6-yl) ester IUPAC Name: (3,7,8-trimethoxy-11,12-dihydrobenzo[b]pyren-6-yl) acetate Traditional Name: acetic acid (3,7,8-trimethoxy-11,12-dihydrobenzo[b]pyren-6-yl) ester Formula: C25H22O5 MolecularWeight: 402.43918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C2C=CC3=C(C=CC4=C3C2=C(CC4)C5=C1C(=C(C=C5)OC)OC)OC

Isomeric SMILES

CC(=O)OC1=C2C=CC3=C(C=CC4=C3C2=C(CC4)C5=C1C(=C(C=C5)OC)OC)OC

InChI

InChI=1S/C25H22O5/c1-13(26)30-24-18-9-8-17-19(27-2)11-6-14-5-7-15(22(18)21(14)17)16-10-12-20(28-3)25(29-4)23(16)24/h6,8-12H,5,7H2,1-4H3