2-[(1S,2R)-1-methyl-3-methylidene-2-(2-oxidanylideneethyl)cyclohexyl]ethanoic acid

Systemtic Name: 2-[(1S,2R)-1-methyl-3-methylidene-2-(2-oxidanylideneethyl)cyclohexyl]ethanoic acid Openeye Name: 2-[(1S,2R)-1-methyl-3-methylene-2-(2-oxoethyl)cyclohexyl]acetic acid CAS Name: 2-[(1S,2R)-1-methyl-3-methylene-2-(2-oxoethyl)cyclohexyl]acetic acid IUPAC Name: 2-[(1S,2R)-1-methyl-3-methylidene-2-(2-oxoethyl)cyclohexyl]acetic acid Traditional Name: 2-[(1S,2R)-2-(2-ketoethyl)-1-methyl-3-methylene-cyclohexyl]acetic acid Formula: C12H18O3 MolecularWeight: 210.26952

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(=C)C1CC=O)CC(=O)O

Isomeric SMILES

C[C@]1(CCCC(=C)[C@H]1CC=O)CC(=O)O

InChI

InChI=1S/C12H18O3/c1-9-4-3-6-12(2,8-11(14)15)10(9)5-7-13/h7,10H,1,3-6,8H2,2H3,(H,14,15)/t10-,12+/m1/s1