CAS Registry Number®
83400-12-8
CAS Name
2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-[2-[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]diazenyl]-4-hydroxy-, lithium sodium salt (1:?:?)
Molecular Formula
C32H21ClF2N6O11S3.xLi.xNa
Other Names and Identifiers
InChI
InChI=1S/C32H21ClF2N6O11S3.Li.Na/c33-25-29(34)38-32(35)39-30(25)36-14-16-7-4-8-20-19(16)9-10-21(28(20)55(50,51)52)40-41-26-23(54(47,48)49)12-17-11-18(53(44,45)46)13-22(24(17)27(26)42)37-31(43)15-5-2-1-3-6-15;;/h1-13,42H,14H2,(H,37,43)(H,36,38,39)(H,44,45,46)(H,47,48,49)(H,50,51,52);;
InChIKey
InChIKey=WBQYLOSVNJSURQ-UHFFFAOYSA-N
SMILES
N(C(=O)C1=CC=CC=C1)C=2C3=C(C=C(S(=O)(=O)O)C(N=NC4=C(S(=O)(=O)O)C5=C(C=C4)C(CNC=6C(Cl)=C(F)N=C(F)N6)=CC=C5)=C3O)C=C(S(=O)(=O)O)C2.[Li].[Na]
Canonical SMILES
[Li].[Na].O=C(NC1=CC(=CC2=CC(=C(N=NC3=CC=C4C(C=CC=C4CNC=5N=C(F)N=C(F)C5Cl)=C3S(=O)(=O)O)C(O)=C21)S(=O)(=O)O)S(=O)(=O)O)C=6C=CC=CC6
Other Names for this Substance
- 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-[2-[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]diazenyl]-4-hydroxy-, lithium sodium salt (1:?:?)
- 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-[[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]azo]-4-hydroxy-, lithium sodium salt
- Drimarene Red K 8B-CDG
Deleted or Replaced CAS Registry Numbers
877038-36-3
