(9S,10S)-10-methyl-8,9-dihydro-7H-benzo[a]pyrene-9,10-diol

Systemtic Name: (9S,10S)-10-methyl-8,9-dihydro-7H-benzo[a]pyrene-9,10-diol Openeye Name: (9S,10S)-10-methyl-8,9-dihydro-7H-benzo[a]pyrene-9,10-diol CAS Name: (9S,10S)-10-methyl-8,9-dihydro-7H-benzo[a]pyrene-9,10-diol IUPAC Name: (9S,10S)-10-methyl-8,9-dihydro-7H-benzo[a]pyrene-9,10-diol Traditional Name: (9S,10S)-10-methyl-8,9-dihydro-7H-benzo[a]pyrene-9,10-diol Formula: C21H18O2 MolecularWeight: 302.36642

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC2=C1C3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3)O)O

Isomeric SMILES

C[C@]1([C@H](CCC2=C1C3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3)O)O

InChI

InChI=1S/C21H18O2/c1-21(23)17(22)10-8-15-11-14-6-5-12-3-2-4-13-7-9-16(20(15)21)19(14)18(12)13/h2-7,9,11,17,22-23H,8,10H2,1H3/t17-,21+/m0/s1