(1S,2S)-3-methyl-1,2-dihydrobenzo[j]aceanthrylene-1,2-diol

Systemtic Name: (1S,2S)-3-methyl-1,2-dihydrobenzo[j]aceanthrylene-1,2-diol Openeye Name: (1S,2S)-3-methyl-1,2-dihydrobenzo[j]aceanthrylene-1,2-diol CAS Name: (1S,2S)-3-methyl-1,2-dihydrobenzo[j]aceanthrylene-1,2-diol IUPAC Name: (1S,2S)-3-methyl-1,2-dihydrobenzo[j]aceanthrylene-1,2-diol Traditional Name: (1S,2S)-3-methylcholanthrene-1,2-diol Formula: C21H16O2 MolecularWeight: 300.35054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(C(C3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1)O)O

Isomeric SMILES

CC1=C2[C@@H]([C@H](C3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1)O)O

InChI

InChI=1S/C21H16O2/c1-11-6-7-13-10-16-14-5-3-2-4-12(14)8-9-15(16)19-18(13)17(11)20(22)21(19)23/h2-10,20-23H,1H3/t20-,21-/m0/s1