1,4-Benzenedisulfonic acid, 2-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-6-sulfo-1-naphthalenyl]azo]-7-sulfo-1-naphthalenyl]azo]-, tetrasodium salt

85586-80-7

CAS Name

1,4-Benzenedisulfonic acid, 2-[2-[4-[2-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-6-sulfo-1-naphthalenyl]diazenyl]-7-sulfo-1-naphthalenyl]diazenyl]-, sodium salt (1:4)

Molecular Formula

C₂₉H₂₀ClN₉O₁₂S₄.4Na

Other Names and Identifiers

InChI

InChI=1S/C29H20ClN9O12S4.4Na/c30-27-33-28(31)35-29(34-27)32-21-6-7-22(17-4-1-14(11-19(17)21)52(40,41)42)36-37-23-8-9-24(20-12-15(53(43,44)45)2-5-18(20)23)38-39-25-13-16(54(46,47)48)3-10-26(25)55(49,50)51;;;;/h1-13H,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H3,31,32,33,34,35);;;;

InChIKey

InChIKey=PNNOAHGMEGOEMF-UHFFFAOYSA-N

SMILES

N(C=1C2=C(C(N=NC=3C4=C(C(N=NC5=C(S(=O)(=O)O)C=CC(S(=O)(=O)O)=C5)=CC3)C=C(S(=O)(=O)O)C=C4)=CC1)C=CC(S(=O)(=O)O)=C2)C=6N=C(Cl)N=C(N)N6.[Na]

Canonical SMILES

[Na].O=S(=O)(O)C1=CC=C(C(N=NC2=CC=C(N=NC3=CC=C(NC=4N=C(Cl)N=C(N4)N)C=5C=C(C=CC35)S(=O)(=O)O)C=6C=CC(=CC26)S(=O)(=O)O)=C1)S(=O)(=O)O

Other Names for this Substance