methyl (3aS,6R,7aS)-6-ethyl-1-oxidanylidene-2,3,3a,6,7,7a-hexahydroindene-4-carboxylate

Systemtic Name: methyl (3aS,6R,7aS)-6-ethyl-1-oxidanylidene-2,3,3a,6,7,7a-hexahydroindene-4-carboxylate Openeye Name: methyl (3aS,6R,7aS)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroindene-4-carboxylate CAS Name: (3aS,6R,7aS)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroindene-4-carboxylic acid methyl ester IUPAC Name: methyl (3aS,6R,7aS)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroindene-4-carboxylate Traditional Name: (3aS,6R,7aS)-6-ethyl-1-keto-2,3,3a,6,7,7a-hexahydroindene-4-carboxylic acid methyl ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC2C(CCC2=O)C(=C1)C(=O)OC

Isomeric SMILES

CC[C@@H]1C[C@H]2[C@H](CCC2=O)C(=C1)C(=O)OC

InChI

InChI=1S/C13H18O3/c1-3-8-6-10-9(4-5-12(10)14)11(7-8)13(15)16-2/h7-10H,3-6H2,1-2H3/t8-,9+,10+/m1/s1