4′-(Methylthio)-3-nitro[1,1′-biphenyl]-4-carboxylic acid

CAS Registry Number®

1261976-91-3
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CAS Name

4′-(Methylthio)-3-nitro[1,1′-biphenyl]-4-carboxylic acid

Molecular Formula

C14H11NO4S

Molecular Mass

289.31

Cite this Page

4′-(Methylthio)-3-nitro[1,1′-biphenyl]-4-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1261976-91-3 (retrieved 2024-09-11) (CAS RN: 1261976-91-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H11NO4S/c1-20-11-5-2-9(3-6-11)10-4-7-12(14(16)17)13(8-10)15(18)19/h2-8H,1H3,(H,16,17)

InChIKey

InChIKey=LKGFTBSKOLATEB-UHFFFAOYSA-N

SMILES

N(=O)(=O)C=1C=C(C=CC1C(O)=O)C2=CC=C(SC)C=C2

Canonical SMILES

O=C(O)C1=CC=C(C=C1N(=O)=O)C=2C=CC(SC)=CC2

Other Names for this Substance

  • [1,1′-Biphenyl]-4-carboxylic acid, 4′-(methylthio)-3-nitro-
  • 4′-(Methylthio)-3-nitro[1,1′-biphenyl]-4-carboxylic acid