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=C(C=C(\N=N\C3=CC=C(NC4=C(C=C(C=C4)[N+]([O-])=O)S([O-])(=O)=O)C=C3)C(N)=C2)[N+]([O-])=O)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	22.9898
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 `Sat Dec 16 20:01:12 GMT 2023` Edited by `admin` on `Sat Dec 16 20:01:12 GMT 2023`
Record UNII	G364VS5N3B
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

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

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)

Systematic Name

English

Code System Code Type Description

FDA UNII

G364VS5N3B

Created by admin on Sat Dec 16 20:01:12 GMT 2023 , Edited by admin on Sat Dec 16 20:01:12 GMT 2023

PRIMARY

CAS

85959-27-9

Created by admin on Sat Dec 16 20:01:12 GMT 2023 , Edited by admin on Sat Dec 16 20:01:12 GMT 2023

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: