3-methyl-2H-benzo[j]aceanthrylen-1-one

Systemtic Name: 3-methyl-2H-benzo[j]aceanthrylen-1-one Openeye Name: 3-methyl-2H-benzo[j]aceanthrylen-1-one CAS Name: 3-methyl-2H-benzo[j]aceanthrylen-1-one IUPAC Name: 3-methyl-2H-benzo[j]aceanthrylen-1-one Traditional Name: 3-methylcholanthren-1-one Formula: C21H14O MolecularWeight: 282.33526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CC(=O)C3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1

Isomeric SMILES

CC1=C2CC(=O)C3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1

InChI

InChI=1S/C21H14O/c1-12-6-7-14-10-18-15-5-3-2-4-13(15)8-9-16(18)21-19(22)11-17(12)20(14)21/h2-10H,11H2,1H3