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

Systemtic Name: ethyl (3aS,6S,7aS)-6-ethyl-1-oxidanylidene-2,3,3a,6,7,7a-hexahydroindene-4-carboxylate Openeye Name: ethyl (3aS,6S,7aS)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroindene-4-carboxylate CAS Name: (3aS,6S,7aS)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroindene-4-carboxylic acid ethyl ester IUPAC Name: ethyl (3aS,6S,7aS)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroindene-4-carboxylate Traditional Name: (3aS,6S,7aS)-6-ethyl-1-keto-2,3,3a,6,7,7a-hexahydroindene-4-carboxylic acid ethyl ester Formula: C14H20O3 MolecularWeight: 236.3068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O3/c1-3-9-7-11-10(5-6-13(11)15)12(8-9)14(16)17-4-2/h8-11H,3-7H2,1-2H3/t9-,10-,11-/m0/s1