TETRASODIUM 4-((4',5-DISULFO(1,1'-BIPHENYL)-2-YL)HYDRAZONO)-4,5-DIHYDRO-5-OXO-1-(4-SULFOPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H12N4O12S3.4Na
Molecular Weight	712.504
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of TETRASODIUM 4-((4',5-DISULFO(1,1'-BIPHENYL)-2-YL)HYDRAZONO)-4,5-DIHYDRO-5-OXO-1-(4-SULFOPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE

Structure Search

SMILES

[Na+].[Na+].[Na+].[Na+].OC1=C(\N=N\C2=C(C=C(C=C2)S([O-])(=O)=O)C3=CC=C(C=C3)S([O-])(=O)=O)C(=NN1C4=CC=C(C=C4)S([O-])(=O)=O)C([O-])=O

InChI

InChIKey=UHGKPOZWZNEDHC-HHFSKNRISA-J

InChI=1S/C22H16N4O12S3.4Na/c27-21-19(20(22(28)29)25-26(21)13-3-7-15(8-4-13)40(33,34)35)24-23-18-10-9-16(41(36,37)38)11-17(18)12-1-5-14(6-2-12)39(30,31)32;;;;/h1-11,27H,(H,28,29)(H,30,31,32)(H,33,34,35)(H,36,37,38);;;;/q;4*+1/p-4/b24-23+;;;;

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	C22H12N4O12S3
Molecular Weight	620.545
Charge	-4
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 `Tue Apr 01 18:44:09 GMT 2025` Edited by `admin` on `Tue Apr 01 18:44:09 GMT 2025`
Record UNII	G314C5X035
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1H-PYRAZOLE-3-CARBOXYLIC ACID, 4-((4',5-DISULFO(1,1'-BIPHENYL)-2-YL)HYDRAZONO)-4,5-DIHYDRO-5-OXO-1-(4-SULFOPHENYL)-, TETRASODIUM SALT

Preferred Name

English

TETRASODIUM 4-((4',5-DISULFO(1,1'-BIPHENYL)-2-YL)HYDRAZONO)-4,5-DIHYDRO-5-OXO-1-(4-SULFOPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE

Common Name

English

1H-PYRAZOLE-3-CARBOXYLIC ACID, 4-(2-(4',5-DISULFO(1,1'-BIPHENYL)-2-YL)HYDRAZINYLIDENE)-4,5-DIHYDRO-5-OXO-1-(4-SULFOPHENYL)-, SODIUM SALT (1:4)

Systematic Name

English

Code System Code Type Description

PUBCHEM

102144021

Created by admin on Tue Apr 01 18:44:09 GMT 2025 , Edited by admin on Tue Apr 01 18:44:09 GMT 2025

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FDA UNII

G314C5X035

Created by admin on Tue Apr 01 18:44:09 GMT 2025 , Edited by admin on Tue Apr 01 18:44:09 GMT 2025

PRIMARY

CAS

104728-61-2

Created by admin on Tue Apr 01 18:44:09 GMT 2025 , Edited by admin on Tue Apr 01 18:44:09 GMT 2025

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