1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:4)

CAS Registry Number®

80157-00-2
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CAS Name

1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:4)

Molecular Formula

C28H24ClN9O16S5.4Na

Cite this Page

1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:4).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=93050-80-7 (retrieved 2024-05-19) (CAS RN: 80157-00-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H24ClN9O16S5.4Na/c29-25-34-27(31-15-2-1-3-17(10-15)55(40,41)7-6-54-59(51,52)53)36-28(35-25)32-16-4-5-20(21(11-16)33-26(30)39)37-38-22-13-19-14(9-24(22)58(48,49)50)8-18(56(42,43)44)12-23(19)57(45,46)47;;;;/h1-5,8-13H,6-7H2,(H3,30,33,39)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H2,31,32,34,35,36);;;;

InChIKey

InChIKey=DDJDUNFIRBRLJP-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)C=1C2=C(C=C(S(=O)(=O)O)C(N=NC3=C(NC(N)=O)C=C(NC=4N=C(NC5=CC(S(CCOS(=O)(=O)O)(=O)=O)=CC=C5)N=C(Cl)N4)C=C3)=C2)C=C(S(=O)(=O)O)C1.[Na]

Canonical SMILES

[Na].O=C(N)NC1=CC(=CC=C1N=NC=2C=C3C(C=C(C=C3S(=O)(=O)O)S(=O)(=O)O)=CC2S(=O)(=O)O)NC4=NC(Cl)=NC(=N4)NC5=CC=CC(=C5)S(=O)(=O)CCOS(=O)(=O)O

Other Names for this Substance

  • 1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:4)
  • 1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]-, tetrasodium salt
  • Reactive Yellow DF 3RS
  • Reactofix Golden Yellow 3RFN
  • Reactive Yellow 145A

View All

Deleted or Replaced CAS Registry Numbers

93050-80-7, 842167-12-8, 1802312-31-7

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