![2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis[[5-[[4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-5-hydroxy-, tetrasodium salt](https://newcny.com/wp-content/uploads/2024/12/85665-98-1.svg)
CAS Registry Number®
85665-98-1
CAS Name
2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis[2-[5-[[4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxy-, sodium salt (1:4)
Molecular Formula
C32H29Cl2N15O15S4.4Na
Other Names and Identifiers
InChI
InChI=1S/C32H29Cl2N15O15S4.4Na/c33-27-40-29(36-5-7-50)44-31(42-27)38-14-1-3-18(65(53,54)55)16(11-14)46-48-24-20(67(59,60)61)9-13-10-21(68(62,63)64)25(26(52)22(13)23(24)35)49-47-17-12-15(2-4-19(17)66(56,57)58)39-32-43-28(34)41-30(45-32)37-6-8-51;;;;/h1-4,9-12,50-52H,5-8,35H2,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,36,38,40,42,44)(H2,37,39,41,43,45);;;;
InChIKey
InChIKey=GSGNNSXZSJVRAF-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(NCCO)N=C(Cl)N4)=C3)=C2O)C=C(S(=O)(=O)O)C1N=NC5=C(S(=O)(=O)O)C=CC(NC=6N=C(NCCO)N=C(Cl)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)NC5=NC(Cl)=NC(=N5)NCCO)C3N)S(=O)(=O)O)NC6=NC(Cl)=NC(=N6)NCCO
Other Names for this Substance
- 2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis[2-[5-[[4-chloro-6-[(2-hydroxyethyl)amino]-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-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-5-hydroxy-, tetrasodium salt
