4-Ethyl-3-nitrobenzenesulfonic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H9NO5S
Molecular Weight	231.226
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Ethyl-3-nitrobenzenesulfonic acid

Structure Search

SMILES

CCC1=CC=C(C=C1[N+]([O-])=O)S(O)(=O)=O

InChI

InChIKey=VMAGMDKWMAYFDW-UHFFFAOYSA-N

InChI=1S/C8H9NO5S/c1-2-6-3-4-7(15(12,13)14)5-8(6)9(10)11/h3-5H,2H2,1H3,(H,12,13,14)

HIDE SMILES / InChI

Molecular Formula	C8H9NO5S
Molecular Weight	231.226
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 18:52:56 GMT 2025` Edited by `admin` on `Tue Apr 01 18:52:56 GMT 2025`
Record UNII	UAS2F99LAQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-Ethyl-3-nitrobenzenesulfonic acid

Systematic Name

English

Benzenesulfonic acid, 4-ethyl-3-nitro-

Preferred Name

English

Benzenesulphonic acid, 4-ethyl-3-nitro-

Systematic Name

English

4-Ethyl-3-nitrobenzenesulphonic acid

Systematic Name

English

Code System Code Type Description

FDA UNII

UAS2F99LAQ

Created by admin on Tue Apr 01 18:52:56 GMT 2025 , Edited by admin on Tue Apr 01 18:52:56 GMT 2025

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ECHA (EC/EINECS)

267-581-2

Created by admin on Tue Apr 01 18:52:56 GMT 2025 , Edited by admin on Tue Apr 01 18:52:56 GMT 2025

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EPA CompTox

DTXSID1070773

Created by admin on Tue Apr 01 18:52:56 GMT 2025 , Edited by admin on Tue Apr 01 18:52:56 GMT 2025

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PUBCHEM

171961

Created by admin on Tue Apr 01 18:52:56 GMT 2025 , Edited by admin on Tue Apr 01 18:52:56 GMT 2025

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CAS

67892-48-2

Created by admin on Tue Apr 01 18:52:56 GMT 2025 , Edited by admin on Tue Apr 01 18:52:56 GMT 2025

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