4-methyl-2-[4,4,5,5,5-pentakis(fluoranyl)pentyl]benzenesulfonate

Systemtic Name: 4-methyl-2-[4,4,5,5,5-pentakis(fluoranyl)pentyl]benzenesulfonate Openeye Name: 4-methyl-2-(4,4,5,5,5-pentafluoropentyl)benzenesulfonate CAS Name: 4-methyl-2-(4,4,5,5,5-pentafluoropentyl)benzenesulfonate IUPAC Name: 4-methyl-2-(4,4,5,5,5-pentafluoropentyl)benzenesulfonate Traditional Name: 4-methyl-2-(4,4,5,5,5-pentafluoropentyl)besylate Formula: C12H12F5O3S- MolecularWeight: 331.278896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[O-])CCCC(C(F)(F)F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)[O-])CCCC(C(F)(F)F)(F)F

InChI

InChI=1S/C12H13F5O3S/c1-8-4-5-10(21(18,19)20)9(7-8)3-2-6-11(13,14)12(15,16)17/h4-5,7H,2-3,6H2,1H3,(H,18,19,20)/p-1