[(1S,5R)-3-ethynyl-4-methyl-5-oxidanyl-cyclohex-3-en-1-yl] benzoate

Systemtic Name: [(1S,5R)-3-ethynyl-4-methyl-5-oxidanyl-cyclohex-3-en-1-yl] benzoate Openeye Name: [(1S,5R)-3-ethynyl-5-hydroxy-4-methyl-cyclohex-3-en-1-yl] benzoate CAS Name: benzoic acid [(1S,5R)-3-ethynyl-5-hydroxy-4-methyl-1-cyclohex-3-enyl] ester IUPAC Name: [(1S,5R)-3-ethynyl-5-hydroxy-4-methylcyclohex-3-en-1-yl] benzoate Traditional Name: benzoic acid [(1S,5R)-3-ethynyl-5-hydroxy-4-methyl-cyclohex-3-en-1-yl] ester Formula: C16H16O3 MolecularWeight: 256.29644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(CC1O)OC(=O)C2=CC=CC=C2)C#C

Isomeric SMILES

CC1=C(C[C@@H](C[C@H]1O)OC(=O)C2=CC=CC=C2)C#C

InChI

InChI=1S/C16H16O3/c1-3-12-9-14(10-15(17)11(12)2)19-16(18)13-7-5-4-6-8-13/h1,4-8,14-15,17H,9-10H2,2H3/t14-,15+/m0/s1