4-hexylcyclohex-2-ene-1-carboxylic acid; octanoic acid

Systemtic Name: 4-hexylcyclohex-2-ene-1-carboxylic acid; octanoic acid Openeye Name: 4-hexylcyclohex-2-ene-1-carboxylic acid; octanoic acid CAS Name: 4-hexyl-1-cyclohex-2-enecarboxylic acid; octanoic acid IUPAC Name: 4-hexylcyclohex-2-ene-1-carboxylic acid; octanoic acid Traditional Name: caprylic acid; 4-hexylcyclohex-2-ene-1-carboxylic acid Formula: C21H38O4 MolecularWeight: 354.52402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)O.CCCCCCC1CCC(C=C1)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)O.CCCCCCC1CCC(C=C1)C(=O)O

InChI

InChI=1S/C13H22O2.C8H16O2/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14)15;1-2-3-4-5-6-7-8(9)10/h7,9,11-12H,2-6,8,10H2,1H3,(H,14,15);2-7H2,1H3,(H,9,10)