SODIUM 2,5-DICHLORO-4-(4,5-DIHYDRO-3-METHYL-4-((4-((P-TOLYLSULFONYL)OXY)PHENYL)AZO)-5-OXO-1H-PYRAZOL-1-YL)BENZENESULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H17Cl2N4O7S2.Na
Molecular Weight	619.429
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of SODIUM 2,5-DICHLORO-4-(4,5-DIHYDRO-3-METHYL-4-((4-((P-TOLYLSULFONYL)OXY)PHENYL)AZO)-5-OXO-1H-PYRAZOL-1-YL)BENZENESULFONATE

Structure Search

SMILES

[Na+].CC1=NN(C(O)=C1\N=N\C2=CC=C(OS(=O)(=O)C3=CC=C(C)C=C3)C=C2)C4=C(Cl)C=C(C(Cl)=C4)S([O-])(=O)=O

InChI

InChIKey=SVRNLEXUWOHUNU-JGUILPGDSA-M

InChI=1S/C23H18Cl2N4O7S2.Na/c1-13-3-9-17(10-4-13)38(34,35)36-16-7-5-15(6-8-16)26-27-22-14(2)28-29(23(22)30)20-11-19(25)21(12-18(20)24)37(31,32)33;/h3-12,30H,1-2H3,(H,31,32,33);/q;+1/p-1/b27-26+;

HIDE SMILES / InChI

Molecular Formula	C23H17Cl2N4O7S2
Molecular Weight	596.44
Charge	-1
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:04:54 GMT 2023` Edited by `admin` on `Sat Dec 16 08:04:54 GMT 2023`
Record UNII	7VC1639243
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM 2,5-DICHLORO-4-(4,5-DIHYDRO-3-METHYL-4-((4-((P-TOLYLSULFONYL)OXY)PHENYL)AZO)-5-OXO-1H-PYRAZOL-1-YL)BENZENESULFONATE

Common Name

English

SODIUM 2,5-DICHLORO-4-(4,5-DIHYDRO-3-METHYL-4-((4-((P-TOLYLSULPHONYL)OXY)PHENYL)AZO)-5-OXO-1H-PYRAZOL-1-YL)BENZENESULPHONATE

Systematic Name

English

BENZENESULFONIC ACID, 2,5-DICHLORO-4-(4,5-DIHYDRO-3-METHYL-4-((4-(((4-METHYLPHENYL)SULFONYL)OXY)PHENYL)AZO)-5-OXO-1H-PYRAZOL-1-YL)-, SODIUM SALT

Common Name

English

2,5-DICHLORO-4-((4,5-DIHYDRO-3-METHYL-4-((4-(((4-METHYLPHENYL)SULFONYL)OXY)PHENYL)AZO)-5-OXO-1H-PYRAZOL)-1-YL)BENZENESULFONIC ACID SODIUM SALT

Systematic Name

English

BENZENESULFONIC ACID, 2,5-DICHLORO-4-(4,5-DIHYDRO-3-METHYL-4-(2-(4-(((4-METHYLPHENYL)SULFONYL)OXY)PHENYL)DIAZENYL)-5-OXO-1H-PYRAZOL-1-YL)-, SODIUM SALT (1:1)

Systematic Name

English

J317.227I

Code

English

Code System Code Type Description

EPA CompTox

DTXSID0041640

Created by admin on Sat Dec 16 08:04:54 GMT 2023 , Edited by admin on Sat Dec 16 08:04:54 GMT 2023

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FDA UNII

7VC1639243

Created by admin on Sat Dec 16 08:04:54 GMT 2023 , Edited by admin on Sat Dec 16 08:04:54 GMT 2023

PRIMARY

ECHA (EC/EINECS)

267-782-5

Created by admin on Sat Dec 16 08:04:54 GMT 2023 , Edited by admin on Sat Dec 16 08:04:54 GMT 2023

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CAS

67923-65-3

Created by admin on Sat Dec 16 08:04:54 GMT 2023 , Edited by admin on Sat Dec 16 08:04:54 GMT 2023

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