DISODIUM 4,5-DICHLORO-2-((4,5-DIHYDRO-3-METHYL-5-OXO-1-(3-SULFONATOPHENYL)-1H-PYRAZOL-4-YL)AZO)BENZENESULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H10Cl2N4O7S2.2Na
Molecular Weight	551.289
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of DISODIUM 4,5-DICHLORO-2-((4,5-DIHYDRO-3-METHYL-5-OXO-1-(3-SULFONATOPHENYL)-1H-PYRAZOL-4-YL)AZO)BENZENESULFONATE

Structure Search

SMILES

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

InChI

InChIKey=HBIZVSVIWFBOCV-LLIZZRELSA-L

InChI=1S/C16H12Cl2N4O7S2.2Na/c1-8-15(20-19-13-6-11(17)12(18)7-14(13)31(27,28)29)16(23)22(21-8)9-3-2-4-10(5-9)30(24,25)26;;/h2-7,23H,1H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b20-19+;;

HIDE SMILES / InChI

Molecular Formula	C16H10Cl2N4O7S2
Molecular Weight	505.309
Charge	-2
Count

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

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:31:03 GMT 2025` Edited by `admin` on `Mon Mar 31 23:31:03 GMT 2025`
Record UNII	W3MY8512ED
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZENESULFONIC ACID, 4,5-DICHLORO-2-((4,5-DIHYDRO-3-METHYL-5-OXO-1-(3-SULFOPHENYL)-1H-PYRAZOL-4-YL)AZO)-, DISODIUM SALT

Preferred Name

English

DISODIUM 4,5-DICHLORO-2-((4,5-DIHYDRO-3-METHYL-5-OXO-1-(3-SULFONATOPHENYL)-1H-PYRAZOL-4-YL)AZO)BENZENESULFONATE

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

65212-76-2