[(7R,8R)-6-bromanyl-7-(phenylcarbonyloxy)-7,8-dihydrobenzo[a]pyren-8-yl] benzoate

Systemtic Name: [(7R,8R)-6-bromanyl-7-(phenylcarbonyloxy)-7,8-dihydrobenzo[a]pyren-8-yl] benzoate Openeye Name: [(7R,8R)-7-benzoyloxy-6-bromo-7,8-dihydrobenzo[a]pyren-8-yl] benzoate CAS Name: benzoic acid [(7R,8R)-7-benzoyloxy-6-bromo-7,8-dihydrobenzo[a]pyren-8-yl] ester IUPAC Name: [(7R,8R)-7-benzoyloxy-6-bromo-7,8-dihydrobenzo[a]pyren-8-yl] benzoate Traditional Name: benzoic acid [(7R,8R)-7-benzoyloxy-6-bromo-7,8-dihydrobenzo[a]pyren-8-yl] ester Formula: C34H21BrO4 MolecularWeight: 573.43214

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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=CC=CC7=C6C5=C3C=C7)Br

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=CC=CC7=C6C5=C3C=C7)Br

InChI

InChI=1S/C34H21BrO4/c35-31-26-17-15-21-13-7-12-20-14-16-24(29(26)28(20)21)25-18-19-27(38-33(36)22-8-3-1-4-9-22)32(30(25)31)39-34(37)23-10-5-2-6-11-23/h1-19,27,32H/t27-,32+/m1/s1