3-Amino-5-chloro-4-ethylbenzenesulfonic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H10ClNO3S
Molecular Weight	235.688
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Amino-5-chloro-4-ethylbenzenesulfonic acid

Structure Search

SMILES

CCC1=C(Cl)C=C(C=C1N)S(O)(=O)=O

InChI

InChIKey=ZXFQJBRYWYWLAM-UHFFFAOYSA-N

InChI=1S/C8H10ClNO3S/c1-2-6-7(9)3-5(4-8(6)10)14(11,12)13/h3-4H,2,10H2,1H3,(H,11,12,13)

HIDE SMILES / InChI

Molecular Formula	C8H10ClNO3S
Molecular Weight	235.688
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 12:21:24 GMT 2023` Edited by `admin` on `Sat Dec 16 12:21:24 GMT 2023`
Record UNII	WS92QP68D5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Amino-5-chloro-4-ethylbenzenesulfonic acid

Systematic Name

English

Benzenesulfonic acid, 3-amino-5-chloro-4-ethyl-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID1070771

Created by admin on Sat Dec 16 12:21:24 GMT 2023 , Edited by admin on Sat Dec 16 12:21:24 GMT 2023

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ECHA (EC/EINECS)

267-579-1

Created by admin on Sat Dec 16 12:21:24 GMT 2023 , Edited by admin on Sat Dec 16 12:21:24 GMT 2023

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PUBCHEM

105973

Created by admin on Sat Dec 16 12:21:24 GMT 2023 , Edited by admin on Sat Dec 16 12:21:24 GMT 2023

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FDA UNII

WS92QP68D5

Created by admin on Sat Dec 16 12:21:24 GMT 2023 , Edited by admin on Sat Dec 16 12:21:24 GMT 2023

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CAS

67892-46-0

Created by admin on Sat Dec 16 12:21:24 GMT 2023 , Edited by admin on Sat Dec 16 12:21:24 GMT 2023

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