4,4'-DITHIOBIS(BENZENEACETIC ACID)

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H14O4S2
Molecular Weight	334.41
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4,4'-DITHIOBIS(BENZENEACETIC ACID)

Structure Search

SMILES

OC(=O)CC1=CC=C(SSC2=CC=C(CC(O)=O)C=C2)C=C1

InChI

InChIKey=IMLDPTDOTIPGGL-UHFFFAOYSA-N

InChI=1S/C16H14O4S2/c17-15(18)9-11-1-5-13(6-2-11)21-22-14-7-3-12(4-8-14)10-16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)

HIDE SMILES / InChI

Molecular Formula	C16H14O4S2
Molecular Weight	334.41
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 `Tue Apr 01 19:56:48 GMT 2025` Edited by `admin` on `Tue Apr 01 19:56:48 GMT 2025`
Record UNII	SEJ54M5BCC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4,4'-DITHIOBIS(BENZENEACETIC ACID)

Systematic Name

English

NSC-211

Preferred Name

English

NSC-38071

Code

English

BENZENEACETIC ACID, 4,4'-DITHIOBIS-

Systematic Name

English

2-(4-((4-(CARBOXYMETHYL)PHENYL)DISULFANYL)PHENYL)ACETIC ACID

Systematic Name

English

2,2'-(DITHIOBIS(4,1-PHENYLENE))DIACETIC ACID

Systematic Name

English

Code System Code Type Description

CAS

5325-76-8

Created by admin on Tue Apr 01 19:56:48 GMT 2025 , Edited by admin on Tue Apr 01 19:56:48 GMT 2025

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PUBCHEM

219214

Created by admin on Tue Apr 01 19:56:48 GMT 2025 , Edited by admin on Tue Apr 01 19:56:48 GMT 2025

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NSC

38071

Created by admin on Tue Apr 01 19:56:48 GMT 2025 , Edited by admin on Tue Apr 01 19:56:48 GMT 2025

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FDA UNII

SEJ54M5BCC

Created by admin on Tue Apr 01 19:56:48 GMT 2025 , Edited by admin on Tue Apr 01 19:56:48 GMT 2025

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NSC

211

Created by admin on Tue Apr 01 19:56:48 GMT 2025 , Edited by admin on Tue Apr 01 19:56:48 GMT 2025

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EPA CompTox

DTXSID00201358

Created by admin on Tue Apr 01 19:56:48 GMT 2025 , Edited by admin on Tue Apr 01 19:56:48 GMT 2025

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