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

Systemtic Name: ethyl (3aR,7aS)-3-methylidene-4-oxidanylidene-1,2,5,6,7,7a-hexahydroindene-3a-carboxylate Openeye Name: ethyl (3aR,7aS)-3-methylene-4-oxo-1,2,5,6,7,7a-hexahydroindene-3a-carboxylate CAS Name: (3aR,7aS)-3-methylene-4-oxo-1,2,5,6,7,7a-hexahydroindene-3a-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,7aS)-3-methylidene-4-oxo-1,2,5,6,7,7a-hexahydroindene-3a-carboxylate Traditional Name: (3aR,7aS)-4-keto-3-methylene-1,2,5,6,7,7a-hexahydroindene-3a-carboxylic acid ethyl ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12C(CCCC1=O)CCC2=C

Isomeric SMILES

CCOC(=O)[C@@]12[C@@H](CCCC1=O)CCC2=C

InChI

InChI=1S/C13H18O3/c1-3-16-12(15)13-9(2)7-8-10(13)5-4-6-11(13)14/h10H,2-8H2,1H3/t10-,13-/m0/s1