2-Ethoxycarbonylthioxanthone

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H12O3S
Molecular Weight	284.33
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Ethoxycarbonylthioxanthone

Structure Search

SMILES

CCOC(=O)C1=CC2=C(SC3=C(C=CC=C3)C2=O)C=C1

InChI

InChIKey=PKUZBJXWIOTQFQ-UHFFFAOYSA-N

InChI=1S/C16H12O3S/c1-2-19-16(18)10-7-8-14-12(9-10)15(17)11-5-3-4-6-13(11)20-14/h3-9H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula	C16H12O3S
Molecular Weight	284.33
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 16:54:31 GMT 2025` Edited by `admin` on `Tue Apr 01 16:54:31 GMT 2025`
Record UNII	2XM53U4TRB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Ethoxycarbonylthioxanthone

Systematic Name

English

Ethyl 9-oxo-9H-thioxanthene-2-carboxylate

Preferred Name

English

9H-Thioxanthene-2-carboxylic acid, 9-oxo-, ethyl ester

Systematic Name

English

Code System Code Type Description

CAS

83817-60-1

Created by admin on Tue Apr 01 16:54:31 GMT 2025 , Edited by admin on Tue Apr 01 16:54:31 GMT 2025

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FDA UNII

2XM53U4TRB

Created by admin on Tue Apr 01 16:54:31 GMT 2025 , Edited by admin on Tue Apr 01 16:54:31 GMT 2025

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PUBCHEM

3019372

Created by admin on Tue Apr 01 16:54:31 GMT 2025 , Edited by admin on Tue Apr 01 16:54:31 GMT 2025

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ECHA (EC/EINECS)

280-960-7

Created by admin on Tue Apr 01 16:54:31 GMT 2025 , Edited by admin on Tue Apr 01 16:54:31 GMT 2025

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EPA CompTox

DTXSID80232706

Created by admin on Tue Apr 01 16:54:31 GMT 2025 , Edited by admin on Tue Apr 01 16:54:31 GMT 2025

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