2-[(1S,3S,4R)-4-methyl-2-methylidene-3-(3-oxidanylidenebutyl)cyclohexyl]ethanoic acid

Systemtic Name: 2-[(1S,3S,4R)-4-methyl-2-methylidene-3-(3-oxidanylidenebutyl)cyclohexyl]ethanoic acid Openeye Name: 2-[(1S,3S,4R)-4-methyl-2-methylene-3-(3-oxobutyl)cyclohexyl]acetic acid CAS Name: 2-[(1S,3S,4R)-4-methyl-2-methylene-3-(3-oxobutyl)cyclohexyl]acetic acid IUPAC Name: 2-[(1S,3S,4R)-4-methyl-2-methylidene-3-(3-oxobutyl)cyclohexyl]acetic acid Traditional Name: 2-[(1S,3S,4R)-3-(3-ketobutyl)-4-methyl-2-methylene-cyclohexyl]acetic acid Formula: C14H22O3 MolecularWeight: 238.32268

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=C)C1CCC(=O)C)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H22O3/c1-9-4-6-12(8-14(16)17)11(3)13(9)7-5-10(2)15/h9,12-13H,3-8H2,1-2H3,(H,16,17)/t9-,12+,13+/m1/s1