Chromate(1-), [2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][2-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoato(2-)]-, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium

84989-45-7

CAS Name

Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, [2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][2-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoato(2-)]chromate(1-)

Molecular Formula

C₃₃H₂₃CrN₉O₇.C₂₈H₃₁N₂O₃

Other Names and Identifiers

InChI

InChI=1S/C28H30N2O3.C17H13N4O3.C16H12N5O4.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;1-11-15(16(22)21(20-11)12-7-3-2-4-8-12)19-18-14-10-6-5-9-13(14)17(23)24;1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(21(24)25)7-8-14(13)22;/h9-18H,5-8H2,1-4H3;2-10H,1H3,(H,23,24);2-9,22H,1H3;/q;2*-1;+3/p-1

InChIKey

InChIKey=QXOXLIYDBOZKQO-UHFFFAOYSA-M

SMILES

O=C1[O-][Cr+3]234([N]([C-]5C(=O2)N(N=C5C)C6=CC=CC=C6)=NC=7C([O-]3)=CC=C(N(=O)=O)C7)[N](C=8C1=CC=CC8)=N[C-]9C(=O4)N(N=C9C)C%10=CC=CC=C%10.C(O)(=O)C1=C(C=2C3=C([O+]=C4C2C=CC(N(CC)CC)=C4)C=C(N(CC)CC)C=C3)C=CC=C1

Canonical SMILES

O=C(O)C=1C=CC=CC1C=2C=3C=CC(=CC3[O+]=C4C=C(C=CC42)N(CC)CC)N(CC)CC.O=C1[O-][Cr+3]234(O=C5[C-](N=[N]2C=6C=CC=CC16)C(=NN5C=7C=CC=CC7)C)O=C8[C-](C(=NN8C=9C=CC=CC9)C)[N]4=NC=%10C=C(C=CC%10[O-]3)N(=O)=O

Other Names for this Substance