Chromate(3-), bis[2-hydroxy-5-nitro-3-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]benzenesulfonato(3-)]-, compd. with 3-[(2-ethylhexyl)oxy]-1-propanamine

CAS Name

Chromate(3-), bis[2-(hydroxy-κO)-5-nitro-3-[2-[2-(oxo-κO)-1-[(phenylamino)carbonyl]propyl]diazenyl-κN¹]benzenesulfonato(3-)]-, compd. with 3-[(2-ethylhexyl)oxy]-1-propanamine

Molecular Formula

C₃₂H₂₂CrN₈O₁₆S₂.C₁₁H₂₅NO.3H

Other Names and Identifiers

InChI

InChI=1S/2C16H13N4O8S.C11H25NO.Cr/c2*1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28;1-3-5-7-11(4-2)10-13-9-6-8-12;/h2*2-8,22H,1H3,(H,17,23)(H,26,27,28);11H,3-10,12H2,1-2H3;/q2*-1;;+3/p-1

InChIKey

InChIKey=JXTAEMHCGDMRJZ-UHFFFAOYSA-M

SMILES

CC1=O[Cr+3]234([N](C=5C([O-]2)=C(S(=O)(=O)[O-])C=C(N(=O)=O)C5)=N[C-](C(NC6=CC=CC=C6)=O)C(C)=O3)[N](C=7C([O-]4)=C(S(=O)(=O)[O-])C=C(N(=O)=O)C7)=N[C-]1C(NC8=CC=CC=C8)=O.[H+].C(COCCCN)(CCCC)CC

Canonical SMILES

[H+].O=C(NC=1C=CC=CC1)[C-]2N=[N]3C=4C=C(C=C(C4[O-][Cr+3]563(O=C2C)O=C([C-](N=[N]6C=7C=C(C=C(C7[O-]5)S(=O)(=O)[O-])N(=O)=O)C(=O)NC=8C=CC=CC8)C)S(=O)(=O)[O-])N(=O)=O.O(CCCN)CC(CC)CCCC

Other Names for this Substance