ethyl (3aR,6S)-6-ethynyl-7,7-dimethyl-6-oxidanyl-2-oxidanylidene-4,5-dihydro-3H-indene-3a-carboxylate

Systemtic Name: ethyl (3aR,6S)-6-ethynyl-7,7-dimethyl-6-oxidanyl-2-oxidanylidene-4,5-dihydro-3H-indene-3a-carboxylate Openeye Name: ethyl (3aR,6S)-6-ethynyl-6-hydroxy-7,7-dimethyl-2-oxo-4,5-dihydro-3H-indene-3a-carboxylate CAS Name: (3aR,6S)-6-ethynyl-6-hydroxy-7,7-dimethyl-2-oxo-4,5-dihydro-3H-indene-3a-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,6S)-6-ethynyl-6-hydroxy-7,7-dimethyl-2-oxo-4,5-dihydro-3H-indene-3a-carboxylate Traditional Name: (3aR,6S)-6-ethynyl-6-hydroxy-2-keto-7,7-dimethyl-4,5-dihydro-3H-indene-3a-carboxylic acid ethyl ester Formula: C16H20O4 MolecularWeight: 276.3276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CCC(C(C1=CC(=O)C2)(C)C)(C#C)O

Isomeric SMILES

CCOC(=O)[C@@]12CC[C@@](C(C1=CC(=O)C2)(C)C)(C#C)O

InChI

InChI=1S/C16H20O4/c1-5-16(19)8-7-15(13(18)20-6-2)10-11(17)9-12(15)14(16,3)4/h1,9,19H,6-8,10H2,2-4H3/t15-,16-/m1/s1