1,4-Benzenedisulfonic acid, 2-[[4-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-5-sulfo-1-naphthalenyl]azo]-7-sulfo-1-naphthalenyl]azo]-, lithium sodium salt

83399-85-3

CAS Name

1,4-Benzenedisulfonic acid, 2-[2-[4-[2-[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-5-sulfo-1-naphthalenyl]diazenyl]-7-sulfo-1-naphthalenyl]diazenyl]-, lithium sodium salt (1:?:?)

Molecular Formula

C₃₅H₂₁Cl₂N₇O₁₃S₄.xLi.xNa

Other Names and Identifiers

InChI

InChI=1S/C35H21Cl2N7O13S4.Li.Na/c36-33-34(37)39-28-14-17(4-8-26(28)38-33)35(45)40-27-12-11-24(21-2-1-3-31(32(21)27)61(55,56)57)42-41-23-9-10-25(22-15-18(58(46,47)48)5-7-20(22)23)43-44-29-16-19(59(49,50)51)6-13-30(29)60(52,53)54;;/h1-16H,(H,40,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);;

InChIKey

InChIKey=FXLYXLULUJZRRT-UHFFFAOYSA-N

SMILES

N(C(=O)C1=CC2=C(C=C1)N=C(Cl)C(Cl)=N2)C=3C4=C(C(N=NC=5C6=C(C(N=NC7=C(S(=O)(=O)O)C=CC(S(=O)(=O)O)=C7)=CC5)C=C(S(=O)(=O)O)C=C6)=CC3)C=CC=C4S(=O)(=O)O.[Li].[Na]

Canonical SMILES

[Li].[Na].O=C(NC=1C=CC(N=NC2=CC=C(N=NC3=CC(=CC=C3S(=O)(=O)O)S(=O)(=O)O)C=4C=C(C=CC24)S(=O)(=O)O)=C5C=CC=C(C15)S(=O)(=O)O)C6=CC=C7N=C(Cl)C(Cl)=NC7=C6

Other Names for this Substance