Cuprate(3-), [5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-hydroxy-4-sulfo-1-naphthalenyl)azo]-2,7-naphthalenedisulfonato(5-)]-, tripotassium

CAS Name

Cuprate(3-), [5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-hydroxy-4-sulfo-1-naphthalenyl)azo]-2,7-naphthalenedisulfonato(5-)]-, tripotassium

Molecular Formula

C₂₃H₁₁ClCuN₇O₁₁S₃.3K

Other Names and Identifiers

InChI

InChI=1S/C23H16ClN7O11S3.Cu.3K/c24-21-27-22(25)29-23(28-21)26-13-7-10(43(34,35)36)5-9-6-16(45(40,41)42)19(20(33)17(9)13)31-30-18-12-4-2-1-3-11(12)15(8-14(18)32)44(37,38)39;;;;/h1-8,32-33H,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H3,25,26,27,28,29);;;;/q;+2;3*+1/p-5

InChIKey

InChIKey=HVFWPGFAOOXBTK-UHFFFAOYSA-I

SMILES

S(=O)(=O)([O-])C1=C2C(=C3C(=C1)C=C(S(=O)(=O)[O-])C=C3NC=4N=C(Cl)N=C(N)N4)[O-][Cu+2]5[N]2=NC=6C([O-]5)=CC(S(=O)(=O)[O-])=C7C6C=CC=C7.[K+]

Canonical SMILES

[K+].O=S(=O)([O-])C=1C=C2C=C(C3=C([O-][Cu+2]4[O-]C=5C=C(C=6C=CC=CC6C5N=[N]34)S(=O)(=O)[O-])C2=C(C1)NC=7N=C(Cl)N=C(N7)N)S(=O)(=O)[O-]

Other Names for this Substance