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

Systemtic Name: (1S,2S)-2-[(R)-(3,4-dimethoxyphenyl)-oxidanyl-methyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[(R)-(3,4-dimethoxyphenyl)-hydroxy-methyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[(R)-(3,4-dimethoxyphenyl)-hydroxymethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[(R)-(3,4-dimethoxyphenyl)-hydroxymethyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[(R)-(3,4-dimethoxyphenyl)-hydroxy-methyl]cyclohexanecarboxylate Formula: C16H21O5- MolecularWeight: 293.33494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2CCCCC2C(=O)[O-])O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]([C@H]2CCCC[C@@H]2C(=O)[O-])O)OC

InChI

InChI=1S/C16H22O5/c1-20-13-8-7-10(9-14(13)21-2)15(17)11-5-3-4-6-12(11)16(18)19/h7-9,11-12,15,17H,3-6H2,1-2H3,(H,18,19)/p-1/t11-,12-,15-/m0/s1