(4R,5R)-9-methoxy-4,5-dihydrobenzo[a]pyrene-4,5-diol

Systemtic Name: (4R,5R)-9-methoxy-4,5-dihydrobenzo[a]pyrene-4,5-diol Openeye Name: (4R,5R)-9-methoxy-4,5-dihydrobenzo[a]pyrene-4,5-diol CAS Name: (4R,5R)-9-methoxy-4,5-dihydrobenzo[a]pyrene-4,5-diol IUPAC Name: (4R,5R)-9-methoxy-4,5-dihydrobenzo[a]pyrene-4,5-diol Traditional Name: (4R,5R)-9-methoxy-4,5-dihydrobenzo[a]pyrene-4,5-diol Formula: C21H16O3 MolecularWeight: 316.34994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C3C=CC4=C5C3=C(C=C2C=C1)C(C(C5=CC=C4)O)O

Isomeric SMILES

COC1=CC2=C3C=CC4=C5C3=C(C=C2C=C1)[C@H]([C@@H](C5=CC=C4)O)O

InChI

InChI=1S/C21H16O3/c1-24-13-7-5-12-9-17-19-14(16(12)10-13)8-6-11-3-2-4-15(18(11)19)20(22)21(17)23/h2-10,20-23H,1H3/t20-,21-/m1/s1