Ethanol, 2-(methylamino)-, bis[4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxy-1-naphthalenesulfonato(3-)]chromate(3-)

84812-63-5

CAS Name

Chromate(3-), bis[4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxy-1-naphthalenesulfonato(3-)]-, trihydrogen, compd. with 2-(methylamino)ethanol

Molecular Formula

C₄₀H₂₆CrN₈O₁₀S₂.xC₃H₉NO.3H

Other Names and Identifiers

InChI

InChI=1S/2C20H15N4O5S.C3H9NO.Cr/c2*1-12-18(20(26)24(23-12)13-7-3-2-4-8-13)21-22-19-15-10-6-5-9-14(15)17(11-16(19)25)30(27,28)29;1-4-2-3-5;/h2*2-11,25H,1H3,(H,27,28,29);4-5H,2-3H2,1H3;/q2*-1;;+3/p-1

InChIKey

InChIKey=MVUTVEQHMBRFPF-UHFFFAOYSA-M

SMILES

CC=1[C-]2N=[N]3[Cr+3]45([N](C=6C([O-]4)=CC(S(=O)(=O)[O-])=C7C6C=CC=C7)=N[C-]8C(=O5)N(N=C8C)C9=CC=CC=C9)([O-]C=%10C3=C%11C(=C(S(=O)(=O)[O-])C%10)C=CC=C%11)O=C2N(N1)C%12=CC=CC=C%12.[H+].C(CO)NC

Canonical SMILES

[H+].O=S(=O)([O-])C=1C=C2[O-][Cr+3]345(O=C6[C-](N=[N]3C2=C7C=CC=CC71)C(=NN6C=8C=CC=CC8)C)O=C9[C-](N=[N]5C=%10C([O-]4)=CC(=C%11C=CC=CC%11%10)S(=O)(=O)[O-])C(=NN9C=%12C=CC=CC%12)C.OCCNC

Other Names for this Substance