(1R,2R,3S)-3-ethoxycarbonyl-2-[(E)-prop-1-enyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2R,3S)-3-ethoxycarbonyl-2-[(E)-prop-1-enyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2R,3S)-3-ethoxycarbonyl-2-[(E)-prop-1-enyl]cyclohexanecarboxylic acid CAS Name: (1R,2R,3S)-3-ethoxycarbonyl-2-[(E)-prop-1-enyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2R,3S)-3-ethoxycarbonyl-2-[(E)-prop-1-enyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2R,3S)-3-carbethoxy-2-[(E)-prop-1-enyl]cyclohexanecarboxylic acid Formula: C13H20O4 MolecularWeight: 240.2955

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O4/c1-3-6-9-10(12(14)15)7-5-8-11(9)13(16)17-4-2/h3,6,9-11H,4-5,7-8H2,1-2H3,(H,14,15)/b6-3+/t9-,10-,11+/m1/s1