CAS Registry Number®
125830-49-1
CAS Name
2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(2-sulfo-1-naphthalenyl)diazenyl]-, sodium salt (1:4)
Molecular Formula
C31H24ClN7O16S5.4Na
Other Names and Identifiers
InChI
InChI=1S/C31H24ClN7O16S5.4Na/c32-29-35-30(33-18-6-8-19(9-7-18)56(41,42)12-11-55-60(52,53)54)37-31(36-29)34-22-15-20(57(43,44)45)13-17-14-24(59(49,50)51)27(28(40)25(17)22)39-38-26-21-4-2-1-3-16(21)5-10-23(26)58(46,47)48;;;;/h1-10,13-15,40H,11-12H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H2,33,34,35,36,37);;;;
InChIKey
InChIKey=FJIDWDGMWHQWPT-UHFFFAOYSA-N
SMILES
N(C=1C2=C(C=C(S(=O)(=O)O)C(N=NC=3C4=C(C=CC3S(=O)(=O)O)C=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=NC=5C=6C=CC=CC6C=CC5S(=O)(=O)O)=C(O)C43)S(=O)(=O)O)S(=O)(=O)O
Other Names for this Substance
- 2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(2-sulfo-1-naphthalenyl)diazenyl]-, sodium salt (1:4)
- 2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfo-1-naphthalenyl)azo]-, tetrasodium salt
- Reactive Red 6BF
