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

Systemtic Name: (1S,6S)-6-[(R)-(4-ethoxyphenyl)-oxidanyl-methyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[(R)-(4-ethoxyphenyl)-hydroxy-methyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[(R)-(4-ethoxyphenyl)-hydroxymethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[(R)-(4-ethoxyphenyl)-hydroxymethyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[(R)-hydroxy(p-phenetyl)methyl]cyclohex-3-ene-1-carboxylate Formula: C16H19O4- MolecularWeight: 275.31966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2CC=CCC2C(=O)[O-])O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H]([C@H]2CC=CC[C@@H]2C(=O)[O-])O

InChI

InChI=1S/C16H20O4/c1-2-20-12-9-7-11(8-10-12)15(17)13-5-3-4-6-14(13)16(18)19/h3-4,7-10,13-15,17H,2,5-6H2,1H3,(H,18,19)/p-1/t13-,14-,15-/m0/s1