5-Nitro-3H-1,2-benzoxathiole 2,2-dioxide

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H5NO5S
Molecular Weight	215.183
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-Nitro-3H-1,2-benzoxathiole 2,2-dioxide

Structure Search

SMILES

[O-][N+](=O)C1=CC=C2OS(=O)(=O)CC2=C1

InChI

InChIKey=NKGKZWZGRMZCMO-UHFFFAOYSA-N

InChI=1S/C7H5NO5S/c9-8(10)6-1-2-7-5(3-6)4-14(11,12)13-7/h1-3H,4H2

HIDE SMILES / InChI

Molecular Formula	C7H5NO5S
Molecular Weight	215.183
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 18:35:14 GMT 2025` Edited by `admin` on `Tue Apr 01 18:35:14 GMT 2025`
Record UNII	A4DZM2SN5Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-121602

Preferred Name

English

5-Nitro-3H-1,2-benzoxathiole 2,2-dioxide

Systematic Name

English

AI3-61464

Code

English

3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide

Systematic Name

English

Code System Code Type Description

FDA UNII

A4DZM2SN5Y

Created by admin on Tue Apr 01 18:35:14 GMT 2025 , Edited by admin on Tue Apr 01 18:35:14 GMT 2025

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NSC

121602

Created by admin on Tue Apr 01 18:35:14 GMT 2025 , Edited by admin on Tue Apr 01 18:35:14 GMT 2025

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CAS

14618-10-1

Created by admin on Tue Apr 01 18:35:14 GMT 2025 , Edited by admin on Tue Apr 01 18:35:14 GMT 2025

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EPA CompTox

DTXSID8065795

Created by admin on Tue Apr 01 18:35:14 GMT 2025 , Edited by admin on Tue Apr 01 18:35:14 GMT 2025

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PUBCHEM

84557

Created by admin on Tue Apr 01 18:35:14 GMT 2025 , Edited by admin on Tue Apr 01 18:35:14 GMT 2025

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ECHA (EC/EINECS)

238-655-1

Created by admin on Tue Apr 01 18:35:14 GMT 2025 , Edited by admin on Tue Apr 01 18:35:14 GMT 2025

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