2,5-DICHLOROTARTRAZINE FREE ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H10Cl2N4O9S2
Molecular Weight	537.308
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2,5-DICHLOROTARTRAZINE FREE ACID

Structure Search

SMILES

OC(=O)C1=NN(C(O)=C1\N=N\C2=CC=C(C=C2)S(O)(=O)=O)C3=CC(Cl)=C(C=C3Cl)S(O)(=O)=O

InChI

InChIKey=BKVXQDNVSPFPGR-FMQUCBEESA-N

InChI=1S/C16H10Cl2N4O9S2/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)/b20-19+

HIDE SMILES / InChI

Molecular Formula	C16H10Cl2N4O9S2
Molecular Weight	537.308
Charge	0
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 `Sat Dec 16 13:18:45 GMT 2023` Edited by `admin` on `Sat Dec 16 13:18:45 GMT 2023`
Record UNII	8CO5P3PSUG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,5-DICHLOROTARTRAZINE FREE ACID

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

8CO5P3PSUG

Created by admin on Sat Dec 16 13:18:46 GMT 2023 , Edited by admin on Sat Dec 16 13:18:46 GMT 2023

PRIMARY

CAS

788779-83-9

Created by admin on Sat Dec 16 13:18:46 GMT 2023 , Edited by admin on Sat Dec 16 13:18:46 GMT 2023

PRIMARY

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2,5-DICHLOROTARTRAZINE

SALT/SOLVATE -> PARENT