ETHYL 5-(ETHYLSULFONYL)-O-ANISATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H16O5S
Molecular Weight	272.317
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ETHYL 5-(ETHYLSULFONYL)-O-ANISATE

Structure Search

SMILES

CCOC(=O)C1=CC(=CC=C1OC)S(=O)(=O)CC

InChI

InChIKey=HOFKFECQUOZJFJ-UHFFFAOYSA-N

InChI=1S/C12H16O5S/c1-4-17-12(13)10-8-9(18(14,15)5-2)6-7-11(10)16-3/h6-8H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C12H16O5S
Molecular Weight	272.317
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 18:21:25 GMT 2023` Edited by `admin` on `Sat Dec 16 18:21:25 GMT 2023`
Record UNII	XAQ9KD84DS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ETHYL 5-(ETHYLSULFONYL)-O-ANISATE

Systematic Name

English

BENZOIC ACID, 5-(ETHYLSULFONYL)-2-METHOXY-, ETHYL ESTER

Systematic Name

English

Code System Code Type Description

CAS

94108-78-8

Created by admin on Sat Dec 16 18:21:25 GMT 2023 , Edited by admin on Sat Dec 16 18:21:25 GMT 2023

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ECHA (EC/EINECS)

302-416-0

Created by admin on Sat Dec 16 18:21:25 GMT 2023 , Edited by admin on Sat Dec 16 18:21:25 GMT 2023

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FDA UNII

XAQ9KD84DS

Created by admin on Sat Dec 16 18:21:25 GMT 2023 , Edited by admin on Sat Dec 16 18:21:25 GMT 2023

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EPA CompTox

DTXSID50240590

Created by admin on Sat Dec 16 18:21:25 GMT 2023 , Edited by admin on Sat Dec 16 18:21:25 GMT 2023

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PUBCHEM

44150663

Created by admin on Sat Dec 16 18:21:25 GMT 2023 , Edited by admin on Sat Dec 16 18:21:25 GMT 2023

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