sodium 4-[(E)-1,1,1,2,2,3,5,6,7,7,7-undecakis(fluoranyl)-4,6-bis(trifluoromethyl)hept-4-en-3-yl]oxybenzenesulfonate

Systemtic Name: sodium 4-[(E)-1,1,1,2,2,3,5,6,7,7,7-undecakis(fluoranyl)-4,6-bis(trifluoromethyl)hept-4-en-3-yl]oxybenzenesulfonate Openeye Name: sodium 4-[(E)-1,3,4,5,5,5-hexafluoro-1-(1,1,2,2,2-pentafluoroethyl)-2,4-bis(trifluoromethyl)pent-2-enoxy]benzenesulfonate CAS Name: sodium 4-[(E)-1,1,1,2,2,3,5,6,7,7,7-undecafluoro-4,6-bis(trifluoromethyl)hept-4-en-3-yl]oxybenzenesulfonate IUPAC Name: sodium 4-[(E)-1,1,1,2,2,3,5,6,7,7,7-undecafluoro-4,6-bis(trifluoromethyl)hept-4-en-3-yl]oxybenzenesulfonate Traditional Name: sodium 4-[(E)-1,3,4,5,5,5-hexafluoro-1-(1,1,2,2,2-pentafluoroethyl)-2,4-bis(trifluoromethyl)pent-2-enoxy]besylate Formula: C15H4F17NaO4S MolecularWeight: 626.217484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC(C(=C(C(C(F)(F)F)(C(F)(F)F)F)F)C(F)(F)F)(C(C(F)(F)F)(F)F)F)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1OC(/C(=C(/C(C(F)(F)F)(C(F)(F)F)F)\F)/C(F)(F)F)(C(C(F)(F)F)(F)F)F)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H5F17O4S.Na/c16-8(9(17,13(24,25)26)14(27,28)29)7(11(19,20)21)10(18,12(22,23)15(30,31)32)36-5-1-3-6(4-2-5)37(33,34)35;/h1-4H,(H,33,34,35);/q;+1/p-1/b8-7+;