2-(9-oxidanyl-9-oxidanylidene-nonyl)-5-pentyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 2-(9-oxidanyl-9-oxidanylidene-nonyl)-5-pentyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 2-(9-hydroxy-9-oxo-nonyl)-5-pentyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 2-(9-hydroxy-9-oxononyl)-5-pentyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: 2-(9-hydroxy-9-oxononyl)-5-pentylcyclohex-3-ene-1-carboxylic acid Traditional Name: 5-amyl-2-(9-hydroxy-9-keto-nonyl)cyclohex-3-ene-1-carboxylic acid Formula: C21H36O4 MolecularWeight: 352.50814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CC(C(C=C1)CCCCCCCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCC1CC(C(C=C1)CCCCCCCCC(=O)O)C(=O)O

InChI

InChI=1S/C21H36O4/c1-2-3-8-11-17-14-15-18(19(16-17)21(24)25)12-9-6-4-5-7-10-13-20(22)23/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25)