3-[(1S,6S)-6-(acetyloxymethyl)-6-ethoxycarbonyl-cyclohex-2-en-1-yl]propanoic acid

Systemtic Name: 3-[(1S,6S)-6-(acetyloxymethyl)-6-ethoxycarbonyl-cyclohex-2-en-1-yl]propanoic acid Openeye Name: 3-[(1S,6S)-6-(acetoxymethyl)-6-ethoxycarbonyl-cyclohex-2-en-1-yl]propanoic acid CAS Name: 3-[(1S,6S)-6-(acetyloxymethyl)-6-ethoxycarbonyl-1-cyclohex-2-enyl]propanoic acid IUPAC Name: 3-[(1S,6S)-6-(acetyloxymethyl)-6-ethoxycarbonylcyclohex-2-en-1-yl]propanoic acid Traditional Name: 3-[(1S,6S)-6-(acetoxymethyl)-6-carbethoxy-cyclohex-2-en-1-yl]propionic acid Formula: C15H22O6 MolecularWeight: 298.33158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC=CC1CCC(=O)O)COC(=O)C

Isomeric SMILES

CCOC(=O)[C@]1(CCC=C[C@@H]1CCC(=O)O)COC(=O)C

InChI

InChI=1S/C15H22O6/c1-3-20-14(19)15(10-21-11(2)16)9-5-4-6-12(15)7-8-13(17)18/h4,6,12H,3,5,7-10H2,1-2H3,(H,17,18)/t12-,15-/m1/s1