1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]-, sodium salt

93658-87-8

CAS Name

1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]-, sodium salt (1:?)

Molecular Formula

C₂₀H₁₆ClN₉O₁₀S₃.xNa

Other Names and Identifiers

InChI

InChI=1S/C20H16ClN9O10S3.Na/c21-17-26-18(22)28-20(27-17)24-9-1-2-12(13(5-9)25-19(23)31)29-30-14-7-11-8(4-16(14)43(38,39)40)3-10(41(32,33)34)6-15(11)42(35,36)37;/h1-7H,(H3,23,25,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H3,22,24,26,27,28);

InChIKey

InChIKey=ITZOOBZHLUPDTP-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)C=1C2=C(C=C(S(=O)(=O)O)C(N=NC3=C(NC(N)=O)C=C(NC=4N=C(Cl)N=C(N)N4)C=C3)=C2)C=C(S(=O)(=O)O)C1.[Na]

Canonical SMILES

[Na].O=C(N)NC1=CC(=CC=C1N=NC=2C=C3C(C=C(C=C3S(=O)(=O)O)S(=O)(=O)O)=CC2S(=O)(=O)O)NC=4N=C(Cl)N=C(N4)N

Other Names for this Substance