5-hexan-3-ylcyclohex-3-ene-1-carboxylic acid; octanoic acid

Systemtic Name: 5-hexan-3-ylcyclohex-3-ene-1-carboxylic acid; octanoic acid Openeye Name: 5-(1-ethylbutyl)cyclohex-3-ene-1-carboxylic acid; octanoic acid CAS Name: 5-hexan-3-yl-1-cyclohex-3-enecarboxylic acid; octanoic acid IUPAC Name: 5-hexan-3-ylcyclohex-3-ene-1-carboxylic acid; octanoic acid Traditional Name: caprylic acid; 5-(1-ethylbutyl)cyclohex-3-ene-1-carboxylic acid Formula: C21H38O4 MolecularWeight: 354.52402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)O.CCCC(CC)C1CC(CC=C1)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)O.CCCC(CC)C1CC(CC=C1)C(=O)O

InChI

InChI=1S/C13H22O2.C8H16O2/c1-3-6-10(4-2)11-7-5-8-12(9-11)13(14)15;1-2-3-4-5-6-7-8(9)10/h5,7,10-12H,3-4,6,8-9H2,1-2H3,(H,14,15);2-7H2,1H3,(H,9,10)