2-[6-[2,4-bis(fluoranyl)phenyl]hexylsulfanylmethyl]-2-oxidanyl-butanedioic acid

Systemtic Name: 2-[6-[2,4-bis(fluoranyl)phenyl]hexylsulfanylmethyl]-2-oxidanyl-butanedioic acid Openeye Name: 2-[6-(2,4-difluorophenyl)hexylsulfanylmethyl]-2-hydroxy-butanedioic acid CAS Name: 2-[[6-(2,4-difluorophenyl)hexylthio]methyl]-2-hydroxybutanedioic acid IUPAC Name: 2-[6-(2,4-difluorophenyl)hexylsulfanylmethyl]-2-hydroxybutanedioic acid Traditional Name: 2-[[6-(2,4-difluorophenyl)hexylthio]methyl]-2-hydroxy-succinic acid Formula: C17H22F2O5S MolecularWeight: 376.415386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)F)CCCCCCSCC(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1F)F)CCCCCCSCC(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C17H22F2O5S/c18-13-7-6-12(14(19)9-13)5-3-1-2-4-8-25-11-17(24,16(22)23)10-15(20)21/h6-7,9,24H,1-5,8,10-11H2,(H,20,21)(H,22,23)