dimethyl 3a-oxidanyl-2-oxidanylidene-3H-cyclopenta[l]phenanthrene-1,3-dicarboxylate

Systemtic Name: dimethyl 3a-oxidanyl-2-oxidanylidene-3H-cyclopenta[l]phenanthrene-1,3-dicarboxylate Openeye Name: dimethyl 3a-hydroxy-2-oxo-3H-cyclopenta[l]phenanthrene-1,3-dicarboxylate CAS Name: 3a-hydroxy-2-oxo-3H-cyclopenta[l]phenanthrene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3a-hydroxy-2-oxo-3H-cyclopenta[l]phenanthrene-1,3-dicarboxylate Traditional Name: 3a-hydroxy-2-keto-3H-cyclopenta[l]phenanthrene-1,3-dicarboxylic acid dimethyl ester Formula: C21H16O6 MolecularWeight: 364.34814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(=O)C(=C2C1(C3=CC=CC=C3C4=CC=CC=C42)O)C(=O)OC

Isomeric SMILES

COC(=O)C1C(=O)C(=C2C1(C3=CC=CC=C3C4=CC=CC=C42)O)C(=O)OC

InChI

InChI=1S/C21H16O6/c1-26-19(23)15-16-13-9-4-3-7-11(13)12-8-5-6-10-14(12)21(16,25)17(18(15)22)20(24)27-2/h3-10,17,25H,1-2H3