2,5-DICHLOROTARTRAZINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H7Cl2N4O9S2.3Na
Molecular Weight	603.253
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].[Na+].OC1=C(\N=N\C2=CC=C(C=C2)S([O-])(=O)=O)C(=NN1C3=CC(Cl)=C(C=C3Cl)S([O-])(=O)=O)C([O-])=O

InChI

InChIKey=KCLMYPIJPXIXJQ-HVARVCSCSA-K

InChI=1S/C16H10Cl2N4O9S2.3Na/c17-9-6-12(33(29,30)31)10(18)5-11(9)22-15(23)13(14(21-22)16(24)25)20-19-7-1-3-8(4-2-7)32(26,27)28;;;/h1-6,23H,(H,24,25)(H,26,27,28)(H,29,30,31);;;/q;3*+1/p-3/b20-19+;;;

HIDE SMILES / InChI

Molecular Formula	C16H7Cl2N4O9S2
Molecular Weight	534.284
Charge	-3
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 10:06:04 GMT 2023` Edited by `admin` on `Sat Dec 16 10:06:04 GMT 2023`
Record UNII	Z0MI2310U3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,5-DICHLOROTARTRAZINE

Common Name

English

1H-PYRAZOLE-3-CARBOXYLIC ACID, 1-(2,5-DICHLORO-4-SULFOPHENYL)-4,5-DIHYDRO-5-OXO-4-(2-(4-SULFOPHENYL)DIAZENYL)-, SODIUM SALT (1:3)

Systematic Name

English

PYRAZOLE-3-CARBOXYLIC ACID, 1-(2,5-DICHLORO-4-SULFOPHENYL)-5-HYDROXY-4-((P-SULFOPHENYL)AZO)-, TRISODIUM SALT

Common Name

English

(4-((E)-(3-CARBOXY-1-(2,5-DICHLORO-4-SODIOOXYSULFONYL-PHENYL)-5-HYDROXY-PYRAZOL-4-YL)AZO)PHENYL)SULFONYLOXYSODIUM

Systematic Name

English

1H-PYRAZOLE-3-CARBOXYLIC ACID, 1-(2,5-DICHLORO-4-SULFOPHENYL)-4,5-DIHYDRO-5-OXO-4-((4-SULFOPHENYL)AZO)-, TRISODIUM SALT

Systematic Name

English

Code System Code Type Description

FDA UNII

Z0MI2310U3

Created by admin on Sat Dec 16 10:06:04 GMT 2023 , Edited by admin on Sat Dec 16 10:06:04 GMT 2023

PRIMARY

CAS

95515-18-7

Created by admin on Sat Dec 16 10:06:04 GMT 2023 , Edited by admin on Sat Dec 16 10:06:04 GMT 2023

PRIMARY

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2,5-DICHLOROTARTRAZINE FREE ACID

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