3-CARBOXYTHIOXANTHONE 10,10-DIOXIDE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H8O5S
Molecular Weight	288.275
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-CARBOXYTHIOXANTHONE 10,10-DIOXIDE

Structure Search

SMILES

OC(=O)C1=CC=C2C(=O)C3=CC=CC=C3S(=O)(=O)C2=C1

InChI

InChIKey=KTMTUGYSHWKLNN-UHFFFAOYSA-N

InChI=1S/C14H8O5S/c15-13-9-3-1-2-4-11(9)20(18,19)12-7-8(14(16)17)5-6-10(12)13/h1-7H,(H,16,17)

HIDE SMILES / InChI

Molecular Formula	C14H8O5S
Molecular Weight	288.275
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 `Mon Mar 31 17:52:28 GMT 2025` Edited by `admin` on `Mon Mar 31 17:52:28 GMT 2025`
Record UNII	D922HIK89Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-683527

Preferred Name

English

3-CARBOXYTHIOXANTHONE 10,10-DIOXIDE

Systematic Name

English

9H-THIOXANTHENE-3-CARBOXYLIC ACID, 9-OXO-, 10,10-DIOXIDE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80199688

Created by admin on Mon Mar 31 17:52:28 GMT 2025 , Edited by admin on Mon Mar 31 17:52:28 GMT 2025

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PUBCHEM

40118

Created by admin on Mon Mar 31 17:52:28 GMT 2025 , Edited by admin on Mon Mar 31 17:52:28 GMT 2025

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NSC

683527

Created by admin on Mon Mar 31 17:52:28 GMT 2025 , Edited by admin on Mon Mar 31 17:52:28 GMT 2025

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FDA UNII

D922HIK89Q

Created by admin on Mon Mar 31 17:52:28 GMT 2025 , Edited by admin on Mon Mar 31 17:52:28 GMT 2025

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ECHA (EC/EINECS)

257-392-3

Created by admin on Mon Mar 31 17:52:28 GMT 2025 , Edited by admin on Mon Mar 31 17:52:28 GMT 2025

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CAS

51762-52-8

Created by admin on Mon Mar 31 17:52:28 GMT 2025 , Edited by admin on Mon Mar 31 17:52:28 GMT 2025

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