2-hexyl-5-[(E)-8-oxidanyl-8-oxidanylidene-oct-6-enyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 2-hexyl-5-[(E)-8-oxidanyl-8-oxidanylidene-oct-6-enyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 2-hexyl-5-[(E)-8-hydroxy-8-oxo-oct-6-enyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 2-hexyl-5-[(E)-8-hydroxy-8-oxooct-6-enyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 2-hexyl-5-[(E)-8-hydroxy-8-oxooct-6-enyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 2-hexyl-5-[(E)-8-hydroxy-8-keto-oct-6-enyl]cyclohex-3-ene-1-carboxylic acid Formula: C21H34O4 MolecularWeight: 350.49226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C=CC(CC1C(=O)O)CCCCCC=CC(=O)O

Isomeric SMILES

CCCCCCC1C=CC(CC1C(=O)O)CCCCC/C=C/C(=O)O

InChI

InChI=1S/C21H34O4/c1-2-3-4-9-12-18-15-14-17(16-19(18)21(24)25)11-8-6-5-7-10-13-20(22)23/h10,13-15,17-19H,2-9,11-12,16H2,1H3,(H,22,23)(H,24,25)/b13-10+