Sulfate(1-), (3-carboxylato-5-methylphenyl)pentafluoro-, hydrogen (1:1), (OC-6-21)-

CAS Registry Number®

1448317-68-7
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CAS Name

Sulfate(1-), (3-carboxylato-5-methylphenyl)pentafluoro-, hydrogen (1:1), (OC-6-21)-

Molecular Formula

C8H6F5O2S.H

Cite this Page

Sulfate(1-), (3-carboxylato-5-methylphenyl)pentafluoro-, hydrogen (1:1), (OC-6-21)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1448317-68-7 (retrieved 2024-08-24) (CAS RN: 1448317-68-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C8H7F5O2S/c1-5-2-6(8(14)15)4-7(3-5)16(9,10,11,12)13/h2-4H,1H3,(H,14,15)

InChIKey

InChIKey=DHRPCCNJMXXYMQ-UHFFFAOYSA-N

SMILES

[S+6]([F-])([F-])([F-])([F-])([F-])[C-]=1C=C(C([O-])=O)C=C(C)C1.[H+]

Canonical SMILES

[H+].O=C([O-])C=1C=C(C=[C-](C1)[S+6]([F-])([F-])([F-])([F-])[F-])C

Other Names for this Substance

  • Sulfate(1-), (3-carboxylato-5-methylphenyl)pentafluoro-, hydrogen (1:1), (OC-6-21)-
  • 3-Methyl-5-(pentafluoro-λ6-sulfanyl)benzoic acid

Deleted or Replaced CAS Registry Numbers

1240257-00-4