methyl (1R,2S)-2-(5-methyl-2-oxidanyl-phenyl)carbonylcyclohexane-1-carboxylate

Systemtic Name: methyl (1R,2S)-2-(5-methyl-2-oxidanyl-phenyl)carbonylcyclohexane-1-carboxylate Openeye Name: methyl (1R,2S)-2-(2-hydroxy-5-methyl-benzoyl)cyclohexanecarboxylate CAS Name: (1R,2S)-2-[(2-hydroxy-5-methylphenyl)-oxomethyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S)-2-(2-hydroxy-5-methylbenzoyl)cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-(2-hydroxy-5-methyl-benzoyl)cyclohexanecarboxylic acid methyl ester Formula: C16H20O4 MolecularWeight: 276.3276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)C2CCCCC2C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H20O4/c1-10-7-8-14(17)13(9-10)15(18)11-5-3-4-6-12(11)16(19)20-2/h7-9,11-12,17H,3-6H2,1-2H3/t11-,12+/m0/s1