3-(8-chloranyl-8-oxidanylidene-octyl)-6-hexyl-cyclohex-4-ene-1,2-dicarboxylic acid

Systemtic Name: 3-(8-chloranyl-8-oxidanylidene-octyl)-6-hexyl-cyclohex-4-ene-1,2-dicarboxylic acid Openeye Name: 3-(8-chloro-8-oxo-octyl)-6-hexyl-cyclohex-4-ene-1,2-dicarboxylic acid CAS Name: 3-(8-chloro-8-oxooctyl)-6-hexylcyclohex-4-ene-1,2-dicarboxylic acid IUPAC Name: 3-(8-chloro-8-oxooctyl)-6-hexylcyclohex-4-ene-1,2-dicarboxylic acid Traditional Name: 3-(8-chloro-8-keto-octyl)-6-hexyl-cyclohex-4-ene-1,2-dicarboxylic acid Formula: C22H35ClO5 MolecularWeight: 414.9633

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C=CC(C(C1C(=O)O)C(=O)O)CCCCCCCC(=O)Cl

Isomeric SMILES

CCCCCCC1C=CC(C(C1C(=O)O)C(=O)O)CCCCCCCC(=O)Cl

InChI

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