(1S,6S)-6-[(R)-(3,4-dimethoxyphenyl)-oxidanyl-methyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[(R)-(3,4-dimethoxyphenyl)-oxidanyl-methyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[(R)-(3,4-dimethoxyphenyl)-hydroxy-methyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[(R)-(3,4-dimethoxyphenyl)-hydroxymethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[(R)-(3,4-dimethoxyphenyl)-hydroxymethyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[(R)-(3,4-dimethoxyphenyl)-hydroxy-methyl]cyclohex-3-ene-1-carboxylate Formula: C16H19O5- MolecularWeight: 291.31906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2CC=CCC2C(=O)[O-])O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H20O5/c1-20-13-8-7-10(9-14(13)21-2)15(17)11-5-3-4-6-12(11)16(18)19/h3-4,7-9,11-12,15,17H,5-6H2,1-2H3,(H,18,19)/p-1/t11-,12-,15-/m0/s1