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

Systemtic Name: 3-[(1S,6R)-6-ethoxycarbonyl-6-(hydroxymethyl)cyclohex-2-en-1-yl]propanoic acid Openeye Name: 3-[(1S,6R)-6-ethoxycarbonyl-6-(hydroxymethyl)cyclohex-2-en-1-yl]propanoic acid CAS Name: 3-[(1S,6R)-6-ethoxycarbonyl-6-(hydroxymethyl)-1-cyclohex-2-enyl]propanoic acid IUPAC Name: 3-[(1S,6R)-6-ethoxycarbonyl-6-(hydroxymethyl)cyclohex-2-en-1-yl]propanoic acid Traditional Name: 3-[(1S,6R)-6-carbethoxy-6-methylol-cyclohex-2-en-1-yl]propionic acid Formula: C13H20O5 MolecularWeight: 256.2949

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC=CC1CCC(=O)O)CO

Isomeric SMILES

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

InChI

InChI=1S/C13H20O5/c1-2-18-12(17)13(9-14)8-4-3-5-10(13)6-7-11(15)16/h3,5,10,14H,2,4,6-9H2,1H3,(H,15,16)/t10-,13+/m1/s1