Benzoxazolium, 2,5-dimethyl-3-(3-sulfopropyl)-, inner salt

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H15NO4S
Molecular Weight	269.317
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Benzoxazolium, 2,5-dimethyl-3-(3-sulfopropyl)-, inner salt

Structure Search

SMILES

CC1=[N+](CCCS([O-])(=O)=O)C2=C(O1)C=CC(C)=C2

InChI

InChIKey=ZKSJRECMNSQHIZ-UHFFFAOYSA-N

InChI=1S/C12H15NO4S/c1-9-4-5-12-11(8-9)13(10(2)17-12)6-3-7-18(14,15)16/h4-5,8H,3,6-7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C12H15NO4S
Molecular Weight	269.317
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 `Tue Apr 01 20:24:48 GMT 2025` Edited by `admin` on `Tue Apr 01 20:24:48 GMT 2025`
Record UNII	XC59HQ2GAM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Benzoxazolium, 2,5-dimethyl-3-(3-sulfopropyl)-, inner salt

Preferred Name

English

Code System Code Type Description

PUBCHEM

112427

Created by admin on Tue Apr 01 20:24:48 GMT 2025 , Edited by admin on Tue Apr 01 20:24:48 GMT 2025

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EPA CompTox

DTXSID4072073

Created by admin on Tue Apr 01 20:24:48 GMT 2025 , Edited by admin on Tue Apr 01 20:24:48 GMT 2025

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CAS

70615-15-5

Created by admin on Tue Apr 01 20:24:48 GMT 2025 , Edited by admin on Tue Apr 01 20:24:48 GMT 2025

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FDA UNII

XC59HQ2GAM

Created by admin on Tue Apr 01 20:24:48 GMT 2025 , Edited by admin on Tue Apr 01 20:24:48 GMT 2025

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ECHA (EC/EINECS)

274-698-2

Created by admin on Tue Apr 01 20:24:48 GMT 2025 , Edited by admin on Tue Apr 01 20:24:48 GMT 2025

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