Chromate(3-), [4-amino-5-(hydroxy-κO)-6-[[2-(hydroxy-κO)-4-nitrophenyl]azo-κN1]-1,7-naphthalenedisulfonato(4-)][2-[[5-(aminosulfonyl)-2-(hydroxy-κO)phenyl]azo-κN1]-3-(oxo-κO)-N-phenylbutanamidato(2-)]-, trisodium

212716-69-3

CAS Name

Chromate(3-), [4-amino-5-(hydroxy-κO)-6-[2-[2-(hydroxy-κO)-4-nitrophenyl]diazenyl-κN¹]-1,7-naphthalenedisulfonato(4-)][2-[2-[5-(aminosulfonyl)-2-(hydroxy-κO)phenyl]diazenyl-κN¹]-3-(oxo-κO)-N-phenylbutanamidato(2-)]-, sodium (1:3)

Molecular Formula

C₃₂H₂₂CrN₈O₁₅S₃.3Na

Other Names and Identifiers

InChI

InChI=1S/C16H12N4O10S2.C16H15N4O5S.Cr.3Na/c17-9-2-4-12(31(25,26)27)8-6-13(32(28,29)30)15(16(22)14(8)9)19-18-10-3-1-7(20(23)24)5-11(10)21;1-10(21)15(16(23)18-11-5-3-2-4-6-11)20-19-13-9-12(26(17,24)25)7-8-14(13)22;;;;/h1-6,21-22H,17H2,(H,25,26,27)(H,28,29,30);2-9,22H,1H3,(H,18,23)(H2,17,24,25);;;;/q;-1;+3;3*+1/p-5

InChIKey

InChIKey=FNNOQVPKJOLGGM-UHFFFAOYSA-I

SMILES

C(NC1=CC=CC=C1)(=O)[C-]2[N]=3[Cr+3]45([N](C=6C([O-]4)=C7C(=CC6S(=O)(=O)[O-])C(S(=O)(=O)[O-])=CC=C7N)=NC=8C([O-]5)=CC(N(=O)=O)=CC8)([O-]C=9C(N3)=CC(S(N)(=O)=O)=CC9)O=C2C.[Na+]

Canonical SMILES

[Na+].O=C(NC=1C=CC=CC1)[C-]2C(=O[Cr+3]345([O-]C=6C=CC(=CC6N=[N]23)S(=O)(=O)N)[O-]C7=CC(=CC=C7N=[N]5C=8C([O-]4)=C9C(N)=CC=C(C9=CC8S(=O)(=O)[O-])S(=O)(=O)[O-])N(=O)=O)C

Other Names for this Substance

Deleted or Replaced CAS Registry Numbers

371973-51-2