ethyl (3aS,6S)-6-ethynyl-7,7-dimethyl-6-oxidanyl-2,3,4,5-tetrahydroindene-3a-carboxylate

Systemtic Name: ethyl (3aS,6S)-6-ethynyl-7,7-dimethyl-6-oxidanyl-2,3,4,5-tetrahydroindene-3a-carboxylate Openeye Name: ethyl (3aS,6S)-6-ethynyl-6-hydroxy-7,7-dimethyl-2,3,4,5-tetrahydroindene-3a-carboxylate CAS Name: (3aS,6S)-6-ethynyl-6-hydroxy-7,7-dimethyl-2,3,4,5-tetrahydroindene-3a-carboxylic acid ethyl ester IUPAC Name: ethyl (3aS,6S)-6-ethynyl-6-hydroxy-7,7-dimethyl-2,3,4,5-tetrahydroindene-3a-carboxylate Traditional Name: (3aS,6S)-6-ethynyl-6-hydroxy-7,7-dimethyl-2,3,4,5-tetrahydroindene-3a-carboxylic acid ethyl ester Formula: C16H22O3 MolecularWeight: 262.34408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CCC=C1C(C(CC2)(C#C)O)(C)C

Isomeric SMILES

CCOC(=O)[C@]12CCC=C1C([C@](CC2)(C#C)O)(C)C

InChI

InChI=1S/C16H22O3/c1-5-16(18)11-10-15(13(17)19-6-2)9-7-8-12(15)14(16,3)4/h1,8,18H,6-7,9-11H2,2-4H3/t15-,16+/m0/s1