methyl 7,12-dimethoxy-3-methyl-1-oxidanyl-5,6-dihydrobenzo[a]anthracene-2-carboxylate

Systemtic Name: methyl 7,12-dimethoxy-3-methyl-1-oxidanyl-5,6-dihydrobenzo[a]anthracene-2-carboxylate Openeye Name: methyl 1-hydroxy-7,12-dimethoxy-3-methyl-5,6-dihydrobenzo[a]anthracene-2-carboxylate CAS Name: 1-hydroxy-7,12-dimethoxy-3-methyl-5,6-dihydrobenzo[a]anthracene-2-carboxylic acid methyl ester IUPAC Name: methyl 1-hydroxy-7,12-dimethoxy-3-methyl-5,6-dihydrobenzo[a]anthracene-2-carboxylate Traditional Name: 1-hydroxy-7,12-dimethoxy-3-methyl-5,6-dihydrobenz[a]anthracene-2-carboxylic acid methyl ester Formula: C23H22O5 MolecularWeight: 378.41778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1)CCC3=C(C4=CC=CC=C4C(=C32)OC)OC)O)C(=O)OC

Isomeric SMILES

CC1=C(C(=C2C(=C1)CCC3=C(C4=CC=CC=C4C(=C32)OC)OC)O)C(=O)OC

InChI

InChI=1S/C23H22O5/c1-12-11-13-9-10-16-19(18(13)20(24)17(12)23(25)28-4)22(27-3)15-8-6-5-7-14(15)21(16)26-2/h5-8,11,24H,9-10H2,1-4H3