[(1R,5S)-3-ethynyl-2-methyl-5-oxidanyl-cyclohex-2-en-1-yl] benzoate

Systemtic Name: [(1R,5S)-3-ethynyl-2-methyl-5-oxidanyl-cyclohex-2-en-1-yl] benzoate Openeye Name: [(1R,5S)-3-ethynyl-5-hydroxy-2-methyl-cyclohex-2-en-1-yl] benzoate CAS Name: benzoic acid [(1R,5S)-3-ethynyl-5-hydroxy-2-methyl-1-cyclohex-2-enyl] ester IUPAC Name: [(1R,5S)-3-ethynyl-5-hydroxy-2-methylcyclohex-2-en-1-yl] benzoate Traditional Name: benzoic acid [(1R,5S)-3-ethynyl-5-hydroxy-2-methyl-cyclohex-2-en-1-yl] ester Formula: C16H16O3 MolecularWeight: 256.29644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(CC1OC(=O)C2=CC=CC=C2)O)C#C

Isomeric SMILES

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

InChI

InChI=1S/C16H16O3/c1-3-12-9-14(17)10-15(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