CAS Registry Number®
765298-90-6
CAS Name
2,7-Naphthalenedisulfonic acid, 3-amino-4-[2-[4-[[4-fluoro-6-[phenyl[2-[[2-(sulfooxy)ethyl]sulfonyl]ethyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxy-, sodium salt (1:?)
Molecular Formula
C29H27FN8O16S5.xNa
Other Names and Identifiers
InChI
InChI=1S/C29H27FN8O16S5.Na/c30-27-33-28(35-29(34-27)38(18-4-2-1-3-5-18)8-10-55(40,41)11-9-54-59(51,52)53)32-17-6-7-20(22(14-17)57(45,46)47)36-37-26-24-16(13-23(25(26)31)58(48,49)50)12-19(15-21(24)39)56(42,43)44;/h1-7,12-15,39H,8-11,31H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,32,33,34,35);
InChIKey
InChIKey=QJOAKSAAZNCDMH-UHFFFAOYSA-N
SMILES
N(=NC1=C(S(=O)(=O)O)C=C(NC=2N=C(N(CCS(CCOS(=O)(=O)O)(=O)=O)C3=CC=CC=C3)N=C(F)N2)C=C1)C=4C5=C(C=C(S(=O)(=O)O)C4N)C=C(S(=O)(=O)O)C=C5O.[Na]
Canonical SMILES
[Na].O=S(=O)(O)OCCS(=O)(=O)CCN(C=1N=C(F)N=C(N1)NC2=CC=C(N=NC=3C(N)=C(C=C4C=C(C=C(O)C43)S(=O)(=O)O)S(=O)(=O)O)C(=C2)S(=O)(=O)O)C=5C=CC=CC5
Other Names for this Substance
- 2,7-Naphthalenedisulfonic acid, 3-amino-4-[2-[4-[[4-fluoro-6-[phenyl[2-[[2-(sulfooxy)ethyl]sulfonyl]ethyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxy-, sodium salt (1:?)
- 2,7-Naphthalenedisulfonic acid, 3-amino-4-[[4-[[4-fluoro-6-[phenyl[2-[[2-(sulfooxy)ethyl]sulfonyl]ethyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-5-hydroxy-, sodium salt
