(1S,2S)-2-[(R)-(3,4-dimethylphenyl)-oxidanyl-methyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[(R)-(3,4-dimethylphenyl)-oxidanyl-methyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[(R)-(3,4-dimethylphenyl)-hydroxy-methyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[(R)-(3,4-dimethylphenyl)-hydroxymethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[(R)-(3,4-dimethylphenyl)-hydroxymethyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[(R)-(3,4-dimethylphenyl)-hydroxy-methyl]cyclohexanecarboxylate Formula: C16H21O3- MolecularWeight: 261.33614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C2CCCCC2C(=O)[O-])O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H22O3/c1-10-7-8-12(9-11(10)2)15(17)13-5-3-4-6-14(13)16(18)19/h7-9,13-15,17H,3-6H2,1-2H3,(H,18,19)/p-1/t13-,14-,15-/m0/s1