Disodium 2-((4-((2-amino-4-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulfonatophenyl)-1H-pyrazol-4-yl)azo)-5-nitrophenyl)azo)phenyl)amino)-5-nitrobenzenesulfonate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H20N10O11S2.2Na
Molecular Weight	782.628
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of Disodium 2-((4-((2-amino-4-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulfonatophenyl)-1H-pyrazol-4-yl)azo)-5-nitrophenyl)azo)phenyl)amino)-5-nitrobenzenesulfonate

Structure Search

SMILES

[Na+].[Na+].CC1=NN(C(O)=C1\N=N\C2=CC(N)=C(C=C2[N+]([O-])=O)\N=N\C3=CC=C(NC4=CC=C(C=C4S([O-])(=O)=O)[N+]([O-])=O)C=C3)C5=CC=C(C=C5)S([O-])(=O)=O

InChI

InChIKey=ZQSNHXAWJHUNBD-DUCFOALUSA-L

InChI=1S/C28H22N10O11S2.2Na/c1-15-27(28(39)36(35-15)18-6-9-20(10-7-18)50(44,45)46)34-33-24-13-21(29)23(14-25(24)38(42)43)32-31-17-4-2-16(3-5-17)30-22-11-8-19(37(40)41)12-26(22)51(47,48)49;;/h2-14,30,39H,29H2,1H3,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2/b32-31+,34-33+;;

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

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

Molecular Formula	C28H20N10O11S2
Molecular Weight	736.649
Charge	-2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:02:20 GMT 2025` Edited by `admin` on `Wed Apr 02 18:02:20 GMT 2025`
Record UNII	G364VS5N3B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Benzenesulfonic acid, 2-[[4-[2-[2-amino-4-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-5-nitrophenyl]diazenyl]phenyl]amino]-5-nitro-, sodium salt (1:2)

Preferred Name

English

Disodium 2-((4-((2-amino-4-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulfonatophenyl)-1H-pyrazol-4-yl)azo)-5-nitrophenyl)azo)phenyl)amino)-5-nitrobenzenesulfonate

Systematic Name

English

Code System Code Type Description

FDA UNII

G364VS5N3B

Created by admin on Wed Apr 02 18:02:20 GMT 2025 , Edited by admin on Wed Apr 02 18:02:20 GMT 2025

PRIMARY

CAS

85959-27-9

Created by admin on Wed Apr 02 18:02:20 GMT 2025 , Edited by admin on Wed Apr 02 18:02:20 GMT 2025

PRIMARY

Related Record Type Details


					H6Z2Y26JGT

2-[[4-[2-[2-Amino-4-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-5-nitrophenyl]diazenyl]phenyl]amino]-5-nitrobenzenesulfonic acid

PARENT -> SALT/SOLVATE

Amount: