ethyl (3aR,7aR)-7a-oxidanyl-7-oxidanylidene-1,2,3,4,5,6-hexahydroindene-3a-carboxylate

Systemtic Name: ethyl (3aR,7aR)-7a-oxidanyl-7-oxidanylidene-1,2,3,4,5,6-hexahydroindene-3a-carboxylate Openeye Name: ethyl (3aR,7aR)-7a-hydroxy-7-oxo-1,2,3,4,5,6-hexahydroindene-3a-carboxylate CAS Name: (3aR,7aR)-7a-hydroxy-7-oxo-1,2,3,4,5,6-hexahydroindene-3a-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,7aR)-7a-hydroxy-7-oxo-1,2,3,4,5,6-hexahydroindene-3a-carboxylate Traditional Name: (3aR,7aR)-7a-hydroxy-7-keto-1,2,3,4,5,6-hexahydroindene-3a-carboxylic acid ethyl ester Formula: C12H18O4 MolecularWeight: 226.26892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CCCC(=O)C1(CCC2)O

Isomeric SMILES

CCOC(=O)[C@]12CCCC(=O)[C@]1(CCC2)O

InChI

InChI=1S/C12H18O4/c1-2-16-10(14)11-6-3-5-9(13)12(11,15)8-4-7-11/h15H,2-8H2,1H3/t11-,12+/m1/s1