2-Butyne-1,4-diol, bis(2,3,6-trichlorobenzoate)

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H8Cl6O4
Molecular Weight	500.972
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Butyne-1,4-diol, bis(2,3,6-trichlorobenzoate)

Structure Search

SMILES

ClC1=C(Cl)C(C(=O)OCC#CCOC(=O)C2=C(Cl)C=CC(Cl)=C2Cl)=C(Cl)C=C1

InChI

InChIKey=OSABWJORQUASPX-UHFFFAOYSA-N

InChI=1S/C18H8Cl6O4/c19-9-3-5-11(21)15(23)13(9)17(25)27-7-1-2-8-28-18(26)14-10(20)4-6-12(22)16(14)24/h3-6H,7-8H2

HIDE SMILES / InChI

Molecular Formula	C18H8Cl6O4
Molecular Weight	500.972
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 20:13:39 GMT 2025` Edited by `admin` on `Tue Apr 01 20:13:39 GMT 2025`
Record UNII	JQ7DW5TG36
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-190400

Preferred Name

English

2-Butyne-1,4-diol, bis(2,3,6-trichlorobenzoate)

Common Name

English

Benzoic acid, 2,3,6-trichloro-, 2-butyne-1,4-diyl ester

Systematic Name

English

Code System Code Type Description

CAS

73758-47-1

Created by admin on Tue Apr 01 20:13:39 GMT 2025 , Edited by admin on Tue Apr 01 20:13:39 GMT 2025

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FDA UNII

JQ7DW5TG36

Created by admin on Tue Apr 01 20:13:39 GMT 2025 , Edited by admin on Tue Apr 01 20:13:39 GMT 2025

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NSC

190400

Created by admin on Tue Apr 01 20:13:39 GMT 2025 , Edited by admin on Tue Apr 01 20:13:39 GMT 2025

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PUBCHEM

99157

Created by admin on Tue Apr 01 20:13:39 GMT 2025 , Edited by admin on Tue Apr 01 20:13:39 GMT 2025

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EPA CompTox

DTXSID60224109

Created by admin on Tue Apr 01 20:13:39 GMT 2025 , Edited by admin on Tue Apr 01 20:13:39 GMT 2025

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