4-(3-Cyano-6-methyl-4,4-dioxido-1H-4,1,2-benzothiadiazin-1-yl)benzoic acid

CAS Registry Number®

1710661-66-7
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CAS Name

4-(3-Cyano-6-methyl-4,4-dioxido-1H-4,1,2-benzothiadiazin-1-yl)benzoic acid

Molecular Formula

C16H11N3O4S

Molecular Mass

341.34

Cite this Page

4-(3-Cyano-6-methyl-4,4-dioxido-1H-4,1,2-benzothiadiazin-1-yl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1710661-66-7 (retrieved 2024-09-01) (CAS RN: 1710661-66-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H11N3O4S/c1-10-2-7-13-14(8-10)24(22,23)15(9-17)18-19(13)12-5-3-11(4-6-12)16(20)21/h2-8H,1H3,(H,20,21)

InChIKey

InChIKey=NTOOJYITPGAKSC-UHFFFAOYSA-N

SMILES

C(#N)C1=NN(C=2C(S1(=O)=O)=CC(C)=CC2)C3=CC=C(C(O)=O)C=C3

Canonical SMILES

N#CC1=NN(C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3S1(=O)=O)C

Other Names for this Substance

  • Benzoic acid, 4-(3-cyano-6-methyl-4,4-dioxido-1H-4,1,2-benzothiadiazin-1-yl)-
  • 4-(3-Cyano-6-methyl-4,4-dioxido-1H-4,1,2-benzothiadiazin-1-yl)benzoic acid