2-methyl-2H-benzo[j]aceanthrylene-1,1-diol

Systemtic Name: 2-methyl-2H-benzo[j]aceanthrylene-1,1-diol Openeye Name: 2-methyl-2H-benzo[j]aceanthrylene-1,1-diol CAS Name: 2-methyl-2H-benzo[j]aceanthrylene-1,1-diol IUPAC Name: 2-methyl-2H-benzo[j]aceanthrylene-1,1-diol Traditional Name: 2-methylcholanthrene-1,1-diol Formula: C21H16O2 MolecularWeight: 300.35054

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC3=CC4=C(C=CC5=CC=CC=C54)C(=C32)C1(O)O

Isomeric SMILES

CC1C2=CC=CC3=CC4=C(C=CC5=CC=CC=C54)C(=C32)C1(O)O

InChI

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