(4R,5S)-7-methyl-4,5-dihydrobenzo[a]pyrene-4,5-diol

Systemtic Name: (4R,5S)-7-methyl-4,5-dihydrobenzo[a]pyrene-4,5-diol Openeye Name: (4R,5S)-7-methyl-4,5-dihydrobenzo[a]pyrene-4,5-diol CAS Name: (4R,5S)-7-methyl-4,5-dihydrobenzo[a]pyrene-4,5-diol IUPAC Name: (4R,5S)-7-methyl-4,5-dihydrobenzo[a]pyrene-4,5-diol Traditional Name: (4R,5S)-7-methyl-4,5-dihydrobenzo[a]pyrene-4,5-diol Formula: C21H16O2 MolecularWeight: 300.35054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C3C=CC4=C5C3=C(C=C12)C(C(C5=CC=C4)O)O

Isomeric SMILES

CC1=CC=CC2=C3C=CC4=C5C3=C(C=C12)[C@@H]([C@@H](C5=CC=C4)O)O

InChI

InChI=1S/C21H16O2/c1-11-4-2-6-13-14-9-8-12-5-3-7-15-18(12)19(14)17(10-16(11)13)21(23)20(15)22/h2-10,20-23H,1H3/t20-,21+/m1/s1