Acid Red 114

CAS Registry Number®

6459-94-5

CAS Name

Acid Red 114

Molecular Formula

C37H30N4O10S3.2Na

Cite this Page

Acid Red 114.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6459-94-5 (retrieved 2024-12-22) (CAS RN: 6459-94-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H30N4O10S3.2Na/c1-22-4-13-30(14-5-22)54(49,50)51-29-11-9-28(10-12-29)38-39-32-15-6-25(18-23(32)2)26-7-16-33(24(3)19-26)40-41-37-34(42)17-8-27-20-31(52(43,44)45)21-35(36(27)37)53(46,47)48;;/h4-21,42H,1-3H3,(H,43,44,45)(H,46,47,48);;

InChIKey

InChIKey=XIJAJRUXUOBNOE-UHFFFAOYSA-N

SMILES

N(=NC1=C(C)C=C(C=C1)C2=CC(C)=C(N=NC3=CC=C(OS(=O)(=O)C4=CC=C(C)C=C4)C=C3)C=C2)C=5C6=C(C=C(S(=O)(=O)O)C=C6S(=O)(=O)O)C=CC5O.[Na]

Canonical SMILES

[Na].O=S(=O)(O)C1=CC2=CC=C(O)C(N=NC3=CC=C(C=C3C)C=4C=CC(N=NC5=CC=C(OS(=O)(=O)C6=CC=C(C=C6)C)C=C5)=C(C4)C)=C2C(=C1)S(=O)(=O)O

Other Names for this Substance

  • 1,3-Naphthalenedisulfonic acid, 8-[2-[3,3′-dimethyl-4′-[2-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl][1,1′-biphenyl]-4-yl]diazenyl]-7-hydroxy-, sodium salt (1:2)
  • C.I. Acid Red 114, disodium salt
  • C.I. Acid Red 114
  • 1,3-Naphthalenedisulfonic acid, 8-[[3,3′-dimethyl-4′-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo][1,1′-biphenyl]-4-yl]azo]-7-hydroxy-, disodium salt
  • C.I. 23635

View All

Deleted or Replaced CAS Registry Numbers

471258-22-7

CAS INSIGHTSTM
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