[(1S)-2-oxidanylidenecyclohexyl] 4-methyl-2-oxidanyl-benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C14H16O4 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OC2CCCCC2=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O[C@H]2CCCCC2=O)O

InChI

InChI=1S/C14H16O4/c1-9-6-7-10(12(16)8-9)14(17)18-13-5-3-2-4-11(13)15/h6-8,13,16H,2-5H2,1H3/t13-/m0/s1