4-[(4-Aminophenyl)amino]-3-nitrobenzenesulfonic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H11N3O5S
Molecular Weight	309.298
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-[(4-Aminophenyl)amino]-3-nitrobenzenesulfonic acid

Structure Search

SMILES

NC1=CC=C(NC2=C(C=C(C=C2)S(O)(=O)=O)[N+]([O-])=O)C=C1

InChI

InChIKey=IQXPRPSTZKBYER-UHFFFAOYSA-N

InChI=1S/C12H11N3O5S/c13-8-1-3-9(4-2-8)14-11-6-5-10(21(18,19)20)7-12(11)15(16)17/h1-7,14H,13H2,(H,18,19,20)

HIDE SMILES / InChI

Molecular Formula	C12H11N3O5S
Molecular Weight	309.298
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 17:47:57 GMT 2025` Edited by `admin` on `Tue Apr 01 17:47:57 GMT 2025`
Record UNII	4SQ5W4K7XF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Benzenesulfonic acid, 4-[(4-aminophenyl)amino]-3-nitro-

Preferred Name

English

4-[(4-Aminophenyl)amino]-3-nitrobenzenesulfonic acid

Systematic Name

English

4-(4-Aminoanilino)-3-nitrobenzenesulfonic acid

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID7059646

Created by admin on Tue Apr 01 17:47:57 GMT 2025 , Edited by admin on Tue Apr 01 17:47:57 GMT 2025

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FDA UNII

4SQ5W4K7XF

Created by admin on Tue Apr 01 17:47:57 GMT 2025 , Edited by admin on Tue Apr 01 17:47:57 GMT 2025

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CAS

135-11-5

Created by admin on Tue Apr 01 17:47:57 GMT 2025 , Edited by admin on Tue Apr 01 17:47:57 GMT 2025

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ECHA (EC/EINECS)

205-175-9

Created by admin on Tue Apr 01 17:47:57 GMT 2025 , Edited by admin on Tue Apr 01 17:47:57 GMT 2025

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PUBCHEM

5464135

Created by admin on Tue Apr 01 17:47:57 GMT 2025 , Edited by admin on Tue Apr 01 17:47:57 GMT 2025

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