2-Naphthalenol, 1-[(2-hydroxy-4-nitrophenyl)azo]-, chromium complex

85085-79-6

CAS Name

Chromate(1-), bis[1-[(2-hydroxy-4-nitrophenyl)azo]-2-naphthalenolato(2-)]-, hydrogen, compd. with 2,2′,2′′-nitrilotris[ethanol] (1:1)

Molecular Formula

C₃₂H₁₈CrN₆O₈.C₆H₁₅NO₃.H

Other Names and Identifiers

InChI

InChI=1S/2C16H11N3O4.C6H15NO3.Cr/c2*20-14-8-5-10-3-1-2-4-12(10)16(14)18-17-13-7-6-11(19(22)23)9-15(13)21;8-4-1-7(2-5-9)3-6-10;/h2*1-9,20-21H;8-10H,1-6H2;/q;;;+3/p-3

InChIKey

InChIKey=QAZWAEHWEMLUGP-UHFFFAOYSA-K

SMILES

N(=O)(=O)C=1C=C2[O-][Cr+3]345([N](C=6C([O-]3)=CC=C7C6C=CC=C7)=NC=8C([O-]4)=CC(N(=O)=O)=CC8)[N](C=9C([O-]5)=CC=C%10C9C=CC=C%10)=NC2=CC1.[H+].N(CCO)(CCO)CCO

Canonical SMILES

[H+].O=N(=O)C1=CC=C2N=[N]3C=4C([O-][Cr+3]563([O-]C7=CC=C8C=CC=CC8=C7[N]6=NC9=CC=C(C=C9[O-]5)N(=O)=O)[O-]C2=C1)=CC=C%10C=CC=CC%104.OCCN(CCO)CCO

Other Names for this Substance