CAS Registry Number®
83763-64-8
CAS Name
1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-6-[2-[5-[[[4-fluoro-6-[(2-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]methyl]-1-sulfo-2-naphthalenyl]diazenyl]-5-hydroxy-, sodium salt (1:?)
Molecular Formula
C37H27FN8O14S4.xNa
Other Names and Identifiers
InChI
InChI=1S/C37H27FN8O14S4.Na/c38-35-42-36(44-37(43-35)41-24-11-4-5-12-28(24)62(52,53)54)39-18-20-9-6-10-22-21(20)13-14-26(33(22)64(58,59)60)45-46-31-29(63(55,56)57)17-23-27(61(49,50)51)16-15-25(30(23)32(31)47)40-34(48)19-7-2-1-3-8-19;/h1-17,47H,18H2,(H,40,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H2,39,41,42,43,44);
InChIKey
InChIKey=NYQHYKDGLRLKOQ-UHFFFAOYSA-N
SMILES
N(C(=O)C1=CC=CC=C1)C=2C3=C(C(S(=O)(=O)O)=CC2)C=C(S(=O)(=O)O)C(N=NC4=C(S(=O)(=O)O)C5=C(C=C4)C(CNC=6N=C(NC7=C(S(=O)(=O)O)C=CC=C7)N=C(F)N6)=CC=C5)=C3O.[Na]
Canonical SMILES
[Na].O=C(NC1=CC=C(C=2C=C(C(N=NC3=CC=C4C(C=CC=C4CNC=5N=C(F)N=C(N5)NC=6C=CC=CC6S(=O)(=O)O)=C3S(=O)(=O)O)=C(O)C12)S(=O)(=O)O)S(=O)(=O)O)C=7C=CC=CC7
Other Names for this Substance
- 1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-6-[2-[5-[[[4-fluoro-6-[(2-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]methyl]-1-sulfo-2-naphthalenyl]diazenyl]-5-hydroxy-, sodium salt (1:?)
- 1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-6-[[5-[[[4-fluoro-6-[(2-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]methyl]-1-sulfo-2-naphthalenyl]azo]-5-hydroxy-, sodium salt