2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosakis(fluoranyl)decylsulfanyl]butanedioic acid

Systemtic Name: 2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosakis(fluoranyl)decylsulfanyl]butanedioic acid Openeye Name: 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecylsulfanyl)butanedioic acid CAS Name: 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heneicosafluorodecylthio)butanedioic acid IUPAC Name: 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecylsulfanyl)butanedioic acid Traditional Name: 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heneicosafluorodecylthio)succinic acid Formula: C14H5F21O4S MolecularWeight: 668.218567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C(C(=O)O)SC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O

Isomeric SMILES

C(C(C(=O)O)SC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O

InChI

InChI=1S/C14H5F21O4S/c15-5(16,7(19,20)9(23,24)11(27,28)13(31,32)33)6(17,18)8(21,22)10(25,26)12(29,30)14(34,35)40-2(4(38)39)1-3(36)37/h2H,1H2,(H,36,37)(H,38,39)