3-methoxy-1,2-dihydrobenzo[j]aceanthrylene

Systemtic Name: 3-methoxy-1,2-dihydrobenzo[j]aceanthrylene Openeye Name: 3-methoxy-1,2-dihydrobenzo[j]aceanthrylene CAS Name: 3-methoxy-1,2-dihydrobenzo[j]aceanthrylene IUPAC Name: 3-methoxy-1,2-dihydrobenzo[j]aceanthrylene Traditional Name: 3-methoxycholanthrene Formula: C21H16O MolecularWeight: 284.35114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1

Isomeric SMILES

COC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1

InChI

InChI=1S/C21H16O/c1-22-20-11-7-14-12-19-15-5-3-2-4-13(15)6-8-16(19)17-9-10-18(20)21(14)17/h2-8,11-12H,9-10H2,1H3