ethyl (3aS)-3a-oxidanyl-2-oxidanylidene-3H-cyclopenta[l]phenanthrene-1-carboxylate

Systemtic Name: ethyl (3aS)-3a-oxidanyl-2-oxidanylidene-3H-cyclopenta[l]phenanthrene-1-carboxylate Openeye Name: ethyl (3aS)-3a-hydroxy-2-oxo-3H-cyclopenta[l]phenanthrene-1-carboxylate CAS Name: (3aS)-3a-hydroxy-2-oxo-3H-cyclopenta[l]phenanthrene-1-carboxylic acid ethyl ester IUPAC Name: ethyl (3aS)-3a-hydroxy-2-oxo-3H-cyclopenta[l]phenanthrene-1-carboxylate Traditional Name: (3aS)-3a-hydroxy-2-keto-3H-cyclopenta[l]phenanthrene-1-carboxylic acid ethyl ester Formula: C20H16O4 MolecularWeight: 320.33864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C3=CC=CC=C3C4=CC=CC=C4C2(CC1=O)O

Isomeric SMILES

CCOC(=O)C1=C2C3=CC=CC=C3C4=CC=CC=C4[C@]2(CC1=O)O

InChI

InChI=1S/C20H16O4/c1-2-24-19(22)17-16(21)11-20(23)15-10-6-5-8-13(15)12-7-3-4-9-14(12)18(17)20/h3-10,23H,2,11H2,1H3/t20-/m0/s1