3-methyl-5-octanoyl-2-oxidanyl-cyclohexane-1-carboxylic acid

Systemtic Name: 3-methyl-5-octanoyl-2-oxidanyl-cyclohexane-1-carboxylic acid Openeye Name: 2-hydroxy-3-methyl-5-octanoyl-cyclohexanecarboxylic acid CAS Name: 2-hydroxy-3-methyl-5-(1-oxooctyl)-1-cyclohexanecarboxylic acid IUPAC Name: 2-hydroxy-3-methyl-5-octanoylcyclohexane-1-carboxylic acid Traditional Name: 5-caprylyl-2-hydroxy-3-methyl-cyclohexanecarboxylic acid Formula: C16H28O4 MolecularWeight: 284.39112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1CC(C(C(C1)C(=O)O)O)C

Isomeric SMILES

CCCCCCCC(=O)C1CC(C(C(C1)C(=O)O)O)C

InChI

InChI=1S/C16H28O4/c1-3-4-5-6-7-8-14(17)12-9-11(2)15(18)13(10-12)16(19)20/h11-13,15,18H,3-10H2,1-2H3,(H,19,20)