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

Systemtic Name: (1S,2S)-2-[(R)-(4-tert-butylphenyl)-oxidanyl-methyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[(R)-(4-tert-butylphenyl)-hydroxy-methyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[(R)-(4-tert-butylphenyl)-hydroxymethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[(R)-(4-tert-butylphenyl)-hydroxymethyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[(R)-(4-tert-butylphenyl)-hydroxy-methyl]cyclohexanecarboxylate Formula: C18H25O3- MolecularWeight: 289.3893

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26O3/c1-18(2,3)13-10-8-12(9-11-13)16(19)14-6-4-5-7-15(14)17(20)21/h8-11,14-16,19H,4-7H2,1-3H3,(H,20,21)/p-1/t14-,15-,16-/m0/s1