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

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H22N10O11S2
Molecular Weight	738.665
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 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

Structure Search

SMILES

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=HXZOIVRWDHUTQH-HSBKYFPUSA-N

InChI=1S/C28H22N10O11S2/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)/b32-31+,34-33+

HIDE SMILES / InChI

Molecular Formula	C28H22N10O11S2
Molecular Weight	738.665
Charge	0
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 18:23:32 GMT 2025` Edited by `admin` on `Wed Apr 02 18:23:32 GMT 2025`
Record UNII	H6Z2Y26JGT
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-

Preferred Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

H6Z2Y26JGT

Created by admin on Wed Apr 02 18:23:32 GMT 2025 , Edited by admin on Wed Apr 02 18:23:32 GMT 2025

PRIMARY

EPA CompTox

DTXSID501099708

Created by admin on Wed Apr 02 18:23:32 GMT 2025 , Edited by admin on Wed Apr 02 18:23:32 GMT 2025

PRIMARY

CAS

85959-26-8

Created by admin on Wed Apr 02 18:23:32 GMT 2025 , Edited by admin on Wed Apr 02 18:23:32 GMT 2025

PRIMARY

Related Record Type Details


					G364VS5N3B

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

SALT/SOLVATE -> PARENT

Amount: