PHENYL 2-METHYL-5-NITROBENZENESULFONATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H11NO5S
Molecular Weight	293.295
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PHENYL 2-METHYL-5-NITROBENZENESULFONATE

Structure Search

SMILES

CC1=CC=C(C=C1S(=O)(=O)OC2=CC=CC=C2)[N+]([O-])=O

InChI

InChIKey=DUEHZNNBLUTVHR-UHFFFAOYSA-N

InChI=1S/C13H11NO5S/c1-10-7-8-11(14(15)16)9-13(10)20(17,18)19-12-5-3-2-4-6-12/h2-9H,1H3

HIDE SMILES / InChI

Molecular Formula	C13H11NO5S
Molecular Weight	293.295
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 19:21:02 GMT 2025` Edited by `admin` on `Tue Apr 01 19:21:02 GMT 2025`
Record UNII	RG47PJ5UWL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PHENYL 2-METHYL-5-NITROBENZENESULFONATE

Systematic Name

English

BENZENESULFONIC ACID, 2-METHYL-5-NITRO-, PHENYL ESTER

Preferred Name

English

PHENYL 4-NITROTOLUENE-2-SULFONATE

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

288-780-0

Created by admin on Tue Apr 01 19:21:02 GMT 2025 , Edited by admin on Tue Apr 01 19:21:02 GMT 2025

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EPA CompTox

DTXSID30235207

Created by admin on Tue Apr 01 19:21:02 GMT 2025 , Edited by admin on Tue Apr 01 19:21:02 GMT 2025

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FDA UNII

RG47PJ5UWL

Created by admin on Tue Apr 01 19:21:02 GMT 2025 , Edited by admin on Tue Apr 01 19:21:02 GMT 2025

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PUBCHEM

2268936

Created by admin on Tue Apr 01 19:21:02 GMT 2025 , Edited by admin on Tue Apr 01 19:21:02 GMT 2025

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CAS

85896-03-3

Created by admin on Tue Apr 01 19:21:02 GMT 2025 , Edited by admin on Tue Apr 01 19:21:02 GMT 2025

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