3-(2-carboxyethylsulfanyl)-3-[2-[12,12,12-tris(fluoranyl)dodecyl]phenyl]propanoic acid

Systemtic Name: 3-(2-carboxyethylsulfanyl)-3-[2-[12,12,12-tris(fluoranyl)dodecyl]phenyl]propanoic acid Openeye Name: 3-(2-carboxyethylsulfanyl)-3-[2-(12,12,12-trifluorododecyl)phenyl]propanoic acid CAS Name: 3-(2-carboxyethylthio)-3-[2-(12,12,12-trifluorododecyl)phenyl]propanoic acid IUPAC Name: 3-(2-carboxyethylsulfanyl)-3-[2-(12,12,12-trifluorododecyl)phenyl]propanoic acid Traditional Name: 3-(2-carboxyethylthio)-3-[2-(12,12,12-trifluorododecyl)phenyl]propionic acid Formula: C24H35F3O4S MolecularWeight: 476.59251

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCCCCCCCCCCC(F)(F)F)C(CC(=O)O)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CCCCCCCCCCCC(F)(F)F)C(CC(=O)O)SCCC(=O)O

InChI

InChI=1S/C24H35F3O4S/c25-24(26,27)16-11-7-5-3-1-2-4-6-8-12-19-13-9-10-14-20(19)21(18-23(30)31)32-17-15-22(28)29/h9-10,13-14,21H,1-8,11-12,15-18H2,(H,28,29)(H,30,31)