2-AMINO-4-METHYL-5-NITROBENZENESULFONIC ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H8N2O5S
Molecular Weight	232.214
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-AMINO-4-METHYL-5-NITROBENZENESULFONIC ACID

Structure Search

SMILES

CC1=C(C=C(C(N)=C1)S(O)(=O)=O)[N+]([O-])=O

InChI

InChIKey=FGHYCAHVTIVKDB-UHFFFAOYSA-N

InChI=1S/C7H8N2O5S/c1-4-2-5(8)7(15(12,13)14)3-6(4)9(10)11/h2-3H,8H2,1H3,(H,12,13,14)

HIDE SMILES / InChI

Molecular Formula	C7H8N2O5S
Molecular Weight	232.214
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 19:17:24 GMT 2025` Edited by `admin` on `Tue Apr 01 19:17:24 GMT 2025`
Record UNII	U7Y2Y96XV6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-AMINO-4-METHYL-5-NITROBENZENESULFONIC ACID

Systematic Name

English

3-AMINO-6-NITROTOLUENE-4-SULFONIC ACID

Preferred Name

English

BENZENESULFONIC ACID, 2-AMINO-4-METHYL-5-NITRO-

Systematic Name

English

2-AMINO-4-METHYL-5-NITROBENZENE-1-SULFONIC ACID

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

255-425-6

Created by admin on Tue Apr 01 19:17:24 GMT 2025 , Edited by admin on Tue Apr 01 19:17:24 GMT 2025

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FDA UNII

U7Y2Y96XV6

Created by admin on Tue Apr 01 19:17:24 GMT 2025 , Edited by admin on Tue Apr 01 19:17:24 GMT 2025

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PUBCHEM

3016283

Created by admin on Tue Apr 01 19:17:24 GMT 2025 , Edited by admin on Tue Apr 01 19:17:24 GMT 2025

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EPA CompTox

DTXSID60194398

Created by admin on Tue Apr 01 19:17:24 GMT 2025 , Edited by admin on Tue Apr 01 19:17:24 GMT 2025

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CAS

41521-55-5

Created by admin on Tue Apr 01 19:17:24 GMT 2025 , Edited by admin on Tue Apr 01 19:17:24 GMT 2025

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