Ethanol, 2-amino-, bis[3-[4-[(5-chloro-2-hydroxy-3-nitrophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-2,4-dimethylbenzenesulfonamidato(2-)]chromate(1-)

83949-59-1

CAS Name

Chromate(1-), bis[3-[4-[(5-chloro-2-hydroxy-3-nitrophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-2,4-dimethylbenzenesulfonamidato(2-)]-, hydrogen, compd. with 2-aminoethanol (1:1)

Molecular Formula

C₃₆H₃₀Cl₂CrN₁₂O₁₂S₂.C₂H₇NO.H

Other Names and Identifiers

InChI

InChI=1S/2C18H16ClN6O6S.C2H7NO.Cr/c2*1-8-4-5-14(32(20,30)31)9(2)16(8)24-18(27)15(10(3)23-24)22-21-12-6-11(19)7-13(17(12)26)25(28)29;3-1-2-4;/h2*4-7,26H,1-3H3,(H2,20,30,31);4H,1-3H2;/q2*-1;;+3/p-1

InChIKey

InChIKey=PAUFRLWDZNPLGV-UHFFFAOYSA-M

SMILES

CC=1[C-]2[N]=3[Cr+3]45([N]([C-]6C(=O4)N(N=C6C)C7=C(C)C(S(N)(=O)=O)=CC=C7C)=NC=8C([O-]5)=C(N(=O)=O)C=C(Cl)C8)(O=C2N(N1)C9=C(C)C(S(N)(=O)=O)=CC=C9C)[O-]C=%10C(N3)=CC(Cl)=CC%10N(=O)=O.[H+].C(CO)N

Canonical SMILES

[H+].O=N(=O)C1=CC(Cl)=CC=2N=[N]3[C-]4C(=NN(C4=O[Cr+3]563(O=C7[C-](C(=NN7C=8C(=CC=C(C8C)S(=O)(=O)N)C)C)[N]6=NC=9C=C(Cl)C=C(C9[O-]5)N(=O)=O)[O-]C21)C=%10C(=CC=C(C%10C)S(=O)(=O)N)C)C.OCCN

Other Names for this Substance