(1S,6S)-6-[(R)-(2,5-dimethoxyphenyl)-oxidanyl-methyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[(R)-(2,5-dimethoxyphenyl)-oxidanyl-methyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[(R)-(2,5-dimethoxyphenyl)-hydroxy-methyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[(R)-(2,5-dimethoxyphenyl)-hydroxymethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[(R)-(2,5-dimethoxyphenyl)-hydroxymethyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[(R)-(2,5-dimethoxyphenyl)-hydroxy-methyl]cyclohex-3-ene-1-carboxylate Formula: C16H19O5- MolecularWeight: 291.31906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O5/c1-20-10-7-8-14(21-2)13(9-10)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