![2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis[[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]azo]-5-hydroxy-, tetrasodium salt](https://newcny.com/wp-content/uploads/2024/12/85631-74-9.svg)
CAS Registry Number®
85631-74-9
CAS Name
2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis[2-[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-hydroxy-, sodium salt (1:4)
Molecular Formula
C28H21Cl2N15O13S4.4Na
Other Names and Identifiers
InChI
InChI=1S/C28H21Cl2N15O13S4.4Na/c29-23-36-25(32)40-27(38-23)34-10-1-3-14(59(47,48)49)12(7-10)42-44-20-16(61(53,54)55)5-9-6-17(62(56,57)58)21(22(46)18(9)19(20)31)45-43-13-8-11(2-4-15(13)60(50,51)52)35-28-39-24(30)37-26(33)41-28;;;;/h1-8,46H,31H2,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H3,32,34,36,38,40)(H3,33,35,37,39,41);;;;
InChIKey
InChIKey=DCLDQBVMLVYKBM-UHFFFAOYSA-N
SMILES
NC=1C2=C(C=C(S(=O)(=O)O)C(N=NC3=C(S(=O)(=O)O)C=CC(NC=4N=C(Cl)N=C(N)N4)=C3)=C2O)C=C(S(=O)(=O)O)C1N=NC5=C(S(=O)(=O)O)C=CC(NC=6N=C(Cl)N=C(N)N6)=C5.[Na]
Canonical SMILES
[Na].O=S(=O)(O)C1=CC=C(C=C1N=NC2=C(O)C=3C(C=C2S(=O)(=O)O)=CC(=C(N=NC4=CC(=CC=C4S(=O)(=O)O)NC=5N=C(Cl)N=C(N5)N)C3N)S(=O)(=O)O)NC=6N=C(Cl)N=C(N6)N
Other Names for this Substance
- 2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis[2-[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-hydroxy-, sodium salt (1:4)
- 2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis[[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]azo]-5-hydroxy-, tetrasodium salt
