3-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclohexane-1-carboxylic acid

Systemtic Name: 3-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclohexane-1-carboxylic acid Openeye Name: 3-[(E)-3-methoxy-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclohexanecarboxylic acid CAS Name: 3-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclohexanecarboxylic acid IUPAC Name: 3-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,2-dimethylcyclohexane-1-carboxylic acid Traditional Name: 3-[(E)-3-keto-3-methoxy-prop-1-enyl]-2,2-dimethyl-cyclohexanecarboxylic acid Formula: C13H20O4 MolecularWeight: 240.2955

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCCC1C(=O)O)C=CC(=O)OC)C

Isomeric SMILES

CC1(C(CCCC1C(=O)O)/C=C/C(=O)OC)C

InChI

InChI=1S/C13H20O4/c1-13(2)9(7-8-11(14)17-3)5-4-6-10(13)12(15)16/h7-10H,4-6H2,1-3H3,(H,15,16)/b8-7+