CAS Registry Number®
89157-03-9
CAS Name
Reactive Red 241
Molecular Formula
C31H24ClN7O19S6.5Na
Other Names and Identifiers
InChI
InChI=1S/C31H24ClN7O19S6.5Na/c32-29-35-30(33-16-4-6-17(7-5-16)59(41,42)11-10-58-64(55,56)57)37-31(36-29)34-22-14-18(60(43,44)45)12-15-13-24(62(49,50)51)26(27(40)25(15)22)39-38-21-9-8-19-20(28(21)63(52,53)54)2-1-3-23(19)61(46,47)48;;;;;/h1-9,12-14,40H,10-11H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H2,33,34,35,36,37);;;;;
InChIKey
InChIKey=BUBBXEFEHIIOQX-UHFFFAOYSA-N
SMILES
N(C=1C2=C(C=C(S(=O)(=O)O)C(N=NC3=C(S(=O)(=O)O)C4=C(C=C3)C(S(=O)(=O)O)=CC=C4)=C2O)C=C(S(=O)(=O)O)C1)C=5N=C(NC6=CC=C(S(CCOS(=O)(=O)O)(=O)=O)C=C6)N=C(Cl)N5.[Na]
Canonical SMILES
[Na].O=S(=O)(O)OCCS(=O)(=O)C1=CC=C(C=C1)NC2=NC(Cl)=NC(=N2)NC3=CC(=CC=4C=C(C(N=NC5=CC=C6C(C=CC=C6S(=O)(=O)O)=C5S(=O)(=O)O)=C(O)C43)S(=O)(=O)O)S(=O)(=O)O
Other Names for this Substance
- 1,5-Naphthalenedisulfonic acid, 2-[2-[8-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:5)
- 1,5-Naphthalenedisulfonic acid, 2-[[8-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, pentasodium salt
- C.I. 18220
- C.I. Reactive Red 241
- Reactive Red 241
Deleted or Replaced CAS Registry Numbers
566897-58-3, 673485-67-1
