[(7R,8R)-7-(phenylcarbonyloxy)-7,8-dihydrobenzo[a]pyren-8-yl] benzoate

Systemtic Name: [(7R,8R)-7-(phenylcarbonyloxy)-7,8-dihydrobenzo[a]pyren-8-yl] benzoate Openeye Name: [(7R,8R)-7-benzoyloxy-7,8-dihydrobenzo[a]pyren-8-yl] benzoate CAS Name: benzoic acid [(7R,8R)-7-benzoyloxy-7,8-dihydrobenzo[a]pyren-8-yl] ester IUPAC Name: [(7R,8R)-7-benzoyloxy-7,8-dihydrobenzo[a]pyren-8-yl] benzoate Traditional Name: benzoic acid [(7R,8R)-7-benzoyloxy-7,8-dihydrobenzo[a]pyren-8-yl] ester Formula: C34H22O4 MolecularWeight: 494.53608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2C=CC3=C(C2OC(=O)C4=CC=CC=C4)C=C5C=CC6=C7C5=C3C=CC7=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O[C@@H]2C=CC3=C([C@H]2OC(=O)C4=CC=CC=C4)C=C5C=CC6=C7C5=C3C=CC7=CC=C6

InChI

InChI=1S/C34H22O4/c35-33(23-8-3-1-4-9-23)37-29-19-18-26-27-17-16-22-13-7-12-21-14-15-25(31(27)30(21)22)20-28(26)32(29)38-34(36)24-10-5-2-6-11-24/h1-20,29,32H/t29-,32-/m1/s1