4-(4-CHLOROPHENYL)BUTYL TOSYLATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H19ClO3S
Molecular Weight	338.849
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(4-CHLOROPHENYL)BUTYL TOSYLATE

Structure Search

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC2=CC=C(Cl)C=C2

InChI

InChIKey=GMBWFZODOYMUJF-UHFFFAOYSA-N

InChI=1S/C17H19ClO3S/c1-14-5-11-17(12-6-14)22(19,20)21-13-3-2-4-15-7-9-16(18)10-8-15/h5-12H,2-4,13H2,1H3

HIDE SMILES / InChI

Molecular Formula	C17H19ClO3S
Molecular Weight	338.849
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 `Wed Apr 02 11:58:14 GMT 2025` Edited by `admin` on `Wed Apr 02 11:58:14 GMT 2025`
Record UNII	MJK7788CB6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-(4-CHLOROPHENYL)BUTYL TOSYLATE

Common Name

English

4-CHLOROPHENYLBUTYL 4-METHYLBENZENESULFONATE

Preferred Name

English

BENZENEBUTANOL, 4-CHLORO-, 1-(4-METHYLBENZENESULFONATE)

Common Name

English

Code System Code Type Description

CAS

93982-99-1

Created by admin on Wed Apr 02 11:58:14 GMT 2025 , Edited by admin on Wed Apr 02 11:58:14 GMT 2025

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FDA UNII

MJK7788CB6

Created by admin on Wed Apr 02 11:58:14 GMT 2025 , Edited by admin on Wed Apr 02 11:58:14 GMT 2025

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PUBCHEM

11405024

Created by admin on Wed Apr 02 11:58:14 GMT 2025 , Edited by admin on Wed Apr 02 11:58:14 GMT 2025

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EPA CompTox

DTXSID30240159

Created by admin on Wed Apr 02 11:58:14 GMT 2025 , Edited by admin on Wed Apr 02 11:58:14 GMT 2025

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ECHA (EC/EINECS)

301-286-2

Created by admin on Wed Apr 02 11:58:14 GMT 2025 , Edited by admin on Wed Apr 02 11:58:14 GMT 2025

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