Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, hydrogen bis(3-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-2-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))chromate(3-) (1:2:1), compd. with 3-((2-butylhexyl)oxy)-1-propanamine (1:1)

Molecular Formula: C73H82CrN13O18S2


InChI: InChI=1/C28H30N2O3.2C16H13N5O7S.C13H29NO.Cr/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;2*1-9-14(16(23)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(21(24)25)8-13(15(12)22)29(26,27)28;1-3-5-8-13(9-6-4-2)12-15-11-7-10-14;/h9-18H,5-8H2,1-4H3;2*2-8,22-23H,1H3,(H,26,27,28);13H,3-12,14H2,1-2H3;/q;;;;+3/p-3/b;18-17+;18-17-;;/fC28H31N2O3.2C16H11N5O7S.C13H29NO.Cr/h31H;2*22-23h,26H;;/q+1;2*-2;;m

InChIKey: InChIKey=FHMBOTJUKFLSTA-YMCXIXLFDA
SMILES: CCCCC(CCCC)COCCCN.CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.CC1=NN(C(=C1N=NC2=CC(=CC(=C2[O-])S(=O)(=O)O)[N+](=O)[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=CC(=CC(=C2[O-])S(=O)(=O)O)[N+](=O)[O-])[O-])C3=CC=CC=C3.[Cr+3]

Names:
    Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, hydrogen bis(3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxy-5-nitrobenzenesulfonato(3-))chromate(3-) (1:2:1), compd. with 3-((2-butylhexyl)oxy)-1-propanamine (1:1)
    Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, hydrogen bis(3-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-2-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))chromate(3-) (1:2:1), compd. with 3-((2-butylhexyl)oxy)-1-propanamine (1:1)
    Xanthylium, 9-(2-CO2HPh)-3,6-bis(Et2N)-, H bis (3-((4,5-2H-3-Me-5-oxo-1-Ph-pyrazol-4-yl)azo)-2-OH-5-
    3-(2-butylhexoxy)propan-1-amine; [9-(2-carboxyphenyl)-6-diethylamino-xanthen-3-ylidene]-diethyl-azanium; chromium(+3) cation; 5-methyl-4-(5-nitro-2-oxido-3-sulfo-phenyl)diazenyl-2-phenyl-pyrazol-3-olate
    70851-41-1

Registries:
    PubChem CID 11979405
    PubChem ID 207195