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

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

CCCCCC1C=CC(CC1C(=O)O)CCCCCCCCC(=O)O

Isomeric SMILES

CCCCCC1C=CC(CC1C(=O)O)CCCCCCCCC(=O)O

InChI

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