methyl 2-{[(4-nitrophenyl)methyl]disulfanyl}acetate

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H11NO4S2
Molecular Weight	273.329
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of methyl 2-{[(4-nitrophenyl)methyl]disulfanyl}acetate

Structure Search

SMILES

COC(=O)CSSCC1=CC=C(C=C1)[N+]([O-])=O

InChI

InChIKey=QXKKNZRCMRBLPV-UHFFFAOYSA-N

InChI=1S/C10H11NO4S2/c1-15-10(12)7-17-16-6-8-2-4-9(5-3-8)11(13)14/h2-5H,6-7H2,1H3

HIDE SMILES / InChI

Molecular Formula	C10H11NO4S2
Molecular Weight	273.329
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 19:30:37 GMT 2025` Edited by `admin` on `Tue Apr 01 19:30:37 GMT 2025`
Record UNII	HP6B79GYR8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

methyl 2-{[(4-nitrophenyl)methyl]disulfanyl}acetate

Systematic Name

English

NSC-403805

Preferred Name

English

METHYL ((4-(HYDROXY(OXIDO)AMINO)BENZYL)DITHIO)ACETATE

Systematic Name

English

Acetic acid, 2-[[(4-nitrophenyl)methyl]dithio]-, methyl ester

Systematic Name

English

Code System Code Type Description

CAS

94215-35-7

Created by admin on Tue Apr 01 19:30:37 GMT 2025 , Edited by admin on Tue Apr 01 19:30:37 GMT 2025

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EPA CompTox

DTXSID70241069

Created by admin on Tue Apr 01 19:30:37 GMT 2025 , Edited by admin on Tue Apr 01 19:30:37 GMT 2025

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FDA UNII

HP6B79GYR8

Created by admin on Tue Apr 01 19:30:37 GMT 2025 , Edited by admin on Tue Apr 01 19:30:37 GMT 2025

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PUBCHEM

345888

Created by admin on Tue Apr 01 19:30:37 GMT 2025 , Edited by admin on Tue Apr 01 19:30:37 GMT 2025

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NSC

403805

Created by admin on Tue Apr 01 19:30:37 GMT 2025 , Edited by admin on Tue Apr 01 19:30:37 GMT 2025

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