3-(9-chloranyl-9-oxidanylidene-nonyl)-6-pentyl-cyclohex-4-ene-1,2-dicarboxylic acid

Systemtic Name: 3-(9-chloranyl-9-oxidanylidene-nonyl)-6-pentyl-cyclohex-4-ene-1,2-dicarboxylic acid Openeye Name: 3-(9-chloro-9-oxo-nonyl)-6-pentyl-cyclohex-4-ene-1,2-dicarboxylic acid CAS Name: 3-(9-chloro-9-oxononyl)-6-pentylcyclohex-4-ene-1,2-dicarboxylic acid IUPAC Name: 3-(9-chloro-9-oxononyl)-6-pentylcyclohex-4-ene-1,2-dicarboxylic acid Traditional Name: 3-amyl-6-(9-chloro-9-keto-nonyl)cyclohex-4-ene-1,2-dicarboxylic acid Formula: C22H35ClO5 MolecularWeight: 414.9633

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C=CC(C(C1C(=O)O)C(=O)O)CCCCCCCCC(=O)Cl

Isomeric SMILES

CCCCCC1C=CC(C(C1C(=O)O)C(=O)O)CCCCCCCCC(=O)Cl

InChI

InChI=1S/C22H35ClO5/c1-2-3-8-11-16-14-15-17(20(22(27)28)19(16)21(25)26)12-9-6-4-5-7-10-13-18(23)24/h14-17,19-20H,2-13H2,1H3,(H,25,26)(H,27,28)