(1R,2R,3S)-3-ethoxycarbonyl-2-prop-1-en-2-yl-cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2R,3S)-3-ethoxycarbonyl-2-prop-1-en-2-yl-cyclohexane-1-carboxylic acid Openeye Name: (1R,2R,3S)-3-ethoxycarbonyl-2-isopropenyl-cyclohexanecarboxylic acid CAS Name: (1R,2R,3S)-3-ethoxycarbonyl-2-(1-methylethenyl)-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2R,3S)-3-ethoxycarbonyl-2-prop-1-en-2-ylcyclohexane-1-carboxylic acid Traditional Name: (1R,2R,3S)-3-carbethoxy-2-isopropenyl-cyclohexanecarboxylic acid Formula: C13H20O4 MolecularWeight: 240.2955

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC(C1C(=C)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H20O4/c1-4-17-13(16)10-7-5-6-9(12(14)15)11(10)8(2)3/h9-11H,2,4-7H2,1,3H3,(H,14,15)/t9-,10+,11-/m1/s1