2-[8-[4-chloranyl-2-(trifluoromethyl)phenyl]-2-oxidanyl-octyl]-2-oxidanyl-butanedioic acid

Systemtic Name: 2-[8-[4-chloranyl-2-(trifluoromethyl)phenyl]-2-oxidanyl-octyl]-2-oxidanyl-butanedioic acid Openeye Name: 2-[8-[4-chloro-2-(trifluoromethyl)phenyl]-2-hydroxy-octyl]-2-hydroxy-butanedioic acid CAS Name: 2-[8-[4-chloro-2-(trifluoromethyl)phenyl]-2-hydroxyoctyl]-2-hydroxybutanedioic acid IUPAC Name: 2-[8-[4-chloro-2-(trifluoromethyl)phenyl]-2-hydroxyoctyl]-2-hydroxybutanedioic acid Traditional Name: 2-[8-[4-chloro-2-(trifluoromethyl)phenyl]-2-hydroxy-octyl]-2-hydroxy-succinic acid Formula: C19H24ClF3O6 MolecularWeight: 440.83847

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)C(F)(F)F)CCCCCCC(CC(CC(=O)O)(C(=O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)C(F)(F)F)CCCCCCC(CC(CC(=O)O)(C(=O)O)O)O

InChI

InChI=1S/C19H24ClF3O6/c20-13-8-7-12(15(9-13)19(21,22)23)5-3-1-2-4-6-14(24)10-18(29,17(27)28)11-16(25)26/h7-9,14,24,29H,1-6,10-11H2,(H,25,26)(H,27,28)