3-(PHENYLSULFONYL)BENZOIC ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H10O4S
Molecular Weight	262.281
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(PHENYLSULFONYL)BENZOIC ACID

Structure Search

SMILES

OC(=O)C1=CC(=CC=C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChIKey=MAVYXMCSVGUDEZ-UHFFFAOYSA-N

InChI=1S/C13H10O4S/c14-13(15)10-5-4-8-12(9-10)18(16,17)11-6-2-1-3-7-11/h1-9H,(H,14,15)

HIDE SMILES / InChI

Molecular Formula	C13H10O4S
Molecular Weight	262.281
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 10:47:33 GMT 2025` Edited by `admin` on `Wed Apr 02 10:47:33 GMT 2025`
Record UNII	6F8EVQ2464
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-43055

Preferred Name

English

3-(PHENYLSULFONYL)BENZOIC ACID

Systematic Name

English

BENZOIC ACID, 3-(PHENYLSULFONYL)-

Systematic Name

English

M-PHENYLSULFONYLBENZOIC ACID

Common Name

English

Code System Code Type Description

PUBCHEM

238599

Created by admin on Wed Apr 02 10:47:33 GMT 2025 , Edited by admin on Wed Apr 02 10:47:33 GMT 2025

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CAS

2548-44-9

Created by admin on Wed Apr 02 10:47:33 GMT 2025 , Edited by admin on Wed Apr 02 10:47:33 GMT 2025

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FDA UNII

6F8EVQ2464

Created by admin on Wed Apr 02 10:47:33 GMT 2025 , Edited by admin on Wed Apr 02 10:47:33 GMT 2025

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EPA CompTox

DTXSID70180161

Created by admin on Wed Apr 02 10:47:33 GMT 2025 , Edited by admin on Wed Apr 02 10:47:33 GMT 2025

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NSC

43055

Created by admin on Wed Apr 02 10:47:33 GMT 2025 , Edited by admin on Wed Apr 02 10:47:33 GMT 2025

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