CHROMIUM DISODIUM MORDANT ORANGE 29 2,4-DIHYDRO-4-((2-HYDROXY-4-NITROPHENYL)AZO)-5-METHYL-2-PHENYL-3H-PYRAZOL-3-ONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H11N5O4.C16H10N5O7S.Cr.2Na
Molecular Weight	851.61
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of CHROMIUM DISODIUM MORDANT ORANGE 29 2,4-DIHYDRO-4-((2-HYDROXY-4-NITROPHENYL)AZO)-5-METHYL-2-PHENYL-3H-PYRAZOL-3-ONE

Structure Search

SMILES

[Na+].[Na+].[Cr+3].CC1=NN(C([O-])=C1\N=N\C2=CC=C(C=C2[O-])[N+]([O-])=O)C3=CC=CC=C3.CC4=NN(C([O-])=C4\N=N\C5=C([O-])C(=CC(=C5)[N+]([O-])=O)S([O-])(=O)=O)C6=CC=CC=C6

InChI

InChIKey=KJVNPOIFTICTRS-KTLGJLLMSA-I

InChI=1S/C16H13N5O7S.C16H13N5O4.Cr.2Na/c1-9-14(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;1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-8-7-12(21(24)25)9-14(13)22;;;/h2-8,22-23H,1H3,(H,26,27,28);2-9,22-23H,1H3;;;/q;;+3;2*+1/p-5/b2*18-17+;;;

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	Cr
Molecular Weight	51.9961
Charge	3
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C16H12N5O4
Molecular Weight	338.2976
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	C16H11N5O7S
Molecular Weight	417.353
Charge	-2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:57:03 GMT 2023` Edited by `admin` on `Sat Dec 16 01:57:03 GMT 2023`
Record UNII	W59606I60A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHROMIUM DISODIUM MORDANT ORANGE 29 2,4-DIHYDRO-4-((2-HYDROXY-4-NITROPHENYL)AZO)-5-METHYL-2-PHENYL-3H-PYRAZOL-3-ONE

Common Name

English

CHROMATE(2-), (2,4-DIHYDRO-4-((2-HYDROXY-4-NITROPHENYL)AZO)-5-METHYL-2-PHENYL-3H-PYRAZOL-3-ONATO(2-))(3-((4,5-DIHYDRO-3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4-YL)AZO)-2-HYDROXY-5-NITROBENZENESULFONATO(3-))-, DISODIUM

Systematic Name

English

DISODIUM (2,4-DIHYDRO-4-(2-(2-(HYDROXY-.KAPPA.O)-4-NITROPHENYL)DIAZENYL-.KAPPA.N1)-5-METHYL-2-PHENYL-3H-PYRAZOL-3-ONATO(2-)-.KAPPA.O3)(3-(2-(4,5-DIHYDRO-3-METHYL-5-(OXO-.KAPPA.O)-1-PHENYL-1H-PYRAZOL-4-YL)DIAZENYL-.KAPPA.N1)-2-(HYDROXY-.KAPPA.O)-5-NITROBE

Common Name

English

CHROMATE(2-), (2,4-DIHYDRO-4-(2-(2-(HYDROXY-.KAPPA.O)-4-NITROPHENYL)DIAZENYL-.KAPPA.N1)-5-METHYL-2-PHENYL-3H-PYRAZOL-3-ONATO(2-)-.KAPPA.O3)(3-(2-(4,5-DIHYDRO-3-METHYL-5-(OXO-.KAPPA.O)-1-PHENYL-1H-PYRAZOL-4-YL)DIAZENYL-.KAPPA.N1)-2-(HYDROXY-.KAPPA.O)-5-NI

Systematic Name

English

Code System Code Type Description

FDA UNII

W59606I60A

Created by admin on Sat Dec 16 01:57:03 GMT 2023 , Edited by admin on Sat Dec 16 01:57:03 GMT 2023

PRIMARY

EPA CompTox

DTXSID50894214

Created by admin on Sat Dec 16 01:57:03 GMT 2023 , Edited by admin on Sat Dec 16 01:57:03 GMT 2023

PRIMARY

CAS

70209-87-9

Created by admin on Sat Dec 16 01:57:03 GMT 2023 , Edited by admin on Sat Dec 16 01:57:03 GMT 2023

PRIMARY

PUBCHEM

90659623

Created by admin on Sat Dec 16 01:57:03 GMT 2023 , Edited by admin on Sat Dec 16 01:57:03 GMT 2023

PRIMARY

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