5-Chloro-4-ethyl-2-nitrobenzenesulfonic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H8ClNO5S
Molecular Weight	265.671
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-Chloro-4-ethyl-2-nitrobenzenesulfonic acid

Structure Search

SMILES

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

InChI

InChIKey=YWMDVYNTTKZDBR-UHFFFAOYSA-N

InChI=1S/C8H8ClNO5S/c1-2-5-3-7(10(11)12)8(4-6(5)9)16(13,14)15/h3-4H,2H2,1H3,(H,13,14,15)

HIDE SMILES / InChI

Molecular Formula	C8H8ClNO5S
Molecular Weight	265.671
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 `Sat Dec 16 18:34:08 GMT 2023` Edited by `admin` on `Sat Dec 16 18:34:08 GMT 2023`
Record UNII	8S568BYL4H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-Chloro-4-ethyl-2-nitrobenzenesulfonic acid

Systematic Name

English

Benzenesulfonic acid, 5-chloro-4-ethyl-2-nitro-

Systematic Name

English

Code System Code Type Description

CAS

67892-44-8

Created by admin on Sat Dec 16 18:34:08 GMT 2023 , Edited by admin on Sat Dec 16 18:34:08 GMT 2023

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EPA CompTox

DTXSID7070769

Created by admin on Sat Dec 16 18:34:08 GMT 2023 , Edited by admin on Sat Dec 16 18:34:08 GMT 2023

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FDA UNII

8S568BYL4H

Created by admin on Sat Dec 16 18:34:08 GMT 2023 , Edited by admin on Sat Dec 16 18:34:08 GMT 2023

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ECHA (EC/EINECS)

267-577-0

Created by admin on Sat Dec 16 18:34:08 GMT 2023 , Edited by admin on Sat Dec 16 18:34:08 GMT 2023

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PUBCHEM

105971

Created by admin on Sat Dec 16 18:34:08 GMT 2023 , Edited by admin on Sat Dec 16 18:34:08 GMT 2023

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