(4R,5S)-4,5,7,8,9,10-hexahydrobenzo[a]pyrene-4,5-diol

Systemtic Name: (4R,5S)-4,5,7,8,9,10-hexahydrobenzo[a]pyrene-4,5-diol Openeye Name: (4R,5S)-4,5,7,8,9,10-hexahydrobenzo[a]pyrene-4,5-diol CAS Name: (4R,5S)-4,5,7,8,9,10-hexahydrobenzo[a]pyrene-4,5-diol IUPAC Name: (4R,5S)-4,5,7,8,9,10-hexahydrobenzo[a]pyrene-4,5-diol Traditional Name: (4R,5S)-4,5,7,8,9,10-hexahydrobenzo[a]pyrene-4,5-diol Formula: C20H18O2 MolecularWeight: 290.35572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C3C(C(C4=CC=CC5=C4C3=C2C=C5)O)O

Isomeric SMILES

C1CCC2=C(C1)C=C3[C@@H]([C@@H](C4=CC=CC5=C4C3=C2C=C5)O)O

InChI

InChI=1S/C20H18O2/c21-19-15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(20(19)22)18(14)17(11)15/h3,5,7-10,19-22H,1-2,4,6H2/t19-,20+/m1/s1