5-ACETAMIDO-2-HYDROXY-3-NITROBENZENESULFONIC ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H8N2O7S
Molecular Weight	276.223
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-ACETAMIDO-2-HYDROXY-3-NITROBENZENESULFONIC ACID

Structure Search

SMILES

CC(=O)NC1=CC(=C(O)C(=C1)S(O)(=O)=O)[N+]([O-])=O

InChI

InChIKey=GLJSOFXMPBZIEI-UHFFFAOYSA-N

InChI=1S/C8H8N2O7S/c1-4(11)9-5-2-6(10(13)14)8(12)7(3-5)18(15,16)17/h2-3,12H,1H3,(H,9,11)(H,15,16,17)

HIDE SMILES / InChI

Molecular Formula	C8H8N2O7S
Molecular Weight	276.223
Charge	0
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 `Tue Apr 01 18:49:46 GMT 2025` Edited by `admin` on `Tue Apr 01 18:49:46 GMT 2025`
Record UNII	7CKC8JWU2Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-ACETAMIDO-2-HYDROXY-3-NITROBENZENESULFONIC ACID

Systematic Name

English

BENZENESULFONIC ACID, 5-(ACETYLAMINO)-2-HYDROXY-3-NITRO-

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID60234445

Created by admin on Tue Apr 01 18:49:46 GMT 2025 , Edited by admin on Tue Apr 01 18:49:46 GMT 2025

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CAS

85237-60-1

Created by admin on Tue Apr 01 18:49:46 GMT 2025 , Edited by admin on Tue Apr 01 18:49:46 GMT 2025

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FDA UNII

7CKC8JWU2Y

Created by admin on Tue Apr 01 18:49:46 GMT 2025 , Edited by admin on Tue Apr 01 18:49:46 GMT 2025

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ECHA (EC/EINECS)

286-420-7

Created by admin on Tue Apr 01 18:49:46 GMT 2025 , Edited by admin on Tue Apr 01 18:49:46 GMT 2025

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PUBCHEM

5743933

Created by admin on Tue Apr 01 18:49:46 GMT 2025 , Edited by admin on Tue Apr 01 18:49:46 GMT 2025

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