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

Systemtic Name: ethyl (3aS,7aS)-7-methylidene-7a-oxidanyl-1,2,3,4,5,6-hexahydroindene-3a-carboxylate Openeye Name: ethyl (3aS,7aS)-7a-hydroxy-7-methylene-1,2,3,4,5,6-hexahydroindene-3a-carboxylate CAS Name: (3aS,7aS)-7a-hydroxy-7-methylene-1,2,3,4,5,6-hexahydroindene-3a-carboxylic acid ethyl ester IUPAC Name: ethyl (3aS,7aS)-7a-hydroxy-7-methylidene-1,2,3,4,5,6-hexahydroindene-3a-carboxylate Traditional Name: (3aS,7aS)-7a-hydroxy-7-methylene-1,2,3,4,5,6-hexahydroindene-3a-carboxylic acid ethyl ester Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O3/c1-3-16-11(14)12-7-4-6-10(2)13(12,15)9-5-8-12/h15H,2-9H2,1H3/t12-,13+/m1/s1