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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2CCCCC2C(=O)[O-])O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H]([C@H]2CCCC[C@@H]2C(=O)[O-])O

InChI

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