ethyl (3aS,6aR)-3a-oxidanyl-6-oxidanylidene-3-phenyl-1,4,5,6a-tetrahydropentalene-2-carboxylate

Systemtic Name: ethyl (3aS,6aR)-3a-oxidanyl-6-oxidanylidene-3-phenyl-1,4,5,6a-tetrahydropentalene-2-carboxylate Openeye Name: ethyl (3aS,6aR)-3a-hydroxy-6-oxo-3-phenyl-1,4,5,6a-tetrahydropentalene-2-carboxylate CAS Name: (3aS,6aR)-3a-hydroxy-6-oxo-3-phenyl-1,4,5,6a-tetrahydropentalene-2-carboxylic acid ethyl ester IUPAC Name: ethyl (3aS,6aR)-3a-hydroxy-6-oxo-3-phenyl-1,4,5,6a-tetrahydropentalene-2-carboxylate Traditional Name: (3aS,6aR)-3a-hydroxy-6-keto-3-phenyl-1,4,5,6a-tetrahydropentalene-2-carboxylic acid ethyl ester Formula: C17H18O4 MolecularWeight: 286.32242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2(CCC(=O)C2C1)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C([C@@]2(CCC(=O)[C@@H]2C1)O)C3=CC=CC=C3

InChI

InChI=1S/C17H18O4/c1-2-21-16(19)12-10-13-14(18)8-9-17(13,20)15(12)11-6-4-3-5-7-11/h3-7,13,20H,2,8-10H2,1H3/t13-,17-/m0/s1