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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)

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 Sat Dec 16 13:06:49 GMT 2023
Edited
by admin
on Sat Dec 16 13:06:49 GMT 2023
Record UNII
JQ7DW5TG36
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
NSC-190400
Code English
Code System Code Type Description
CAS
73758-47-1
Created by admin on Sat Dec 16 13:06:49 GMT 2023 , Edited by admin on Sat Dec 16 13:06:49 GMT 2023
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FDA UNII
JQ7DW5TG36
Created by admin on Sat Dec 16 13:06:49 GMT 2023 , Edited by admin on Sat Dec 16 13:06:49 GMT 2023
PRIMARY
NSC
190400
Created by admin on Sat Dec 16 13:06:49 GMT 2023 , Edited by admin on Sat Dec 16 13:06:49 GMT 2023
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PUBCHEM
99157
Created by admin on Sat Dec 16 13:06:49 GMT 2023 , Edited by admin on Sat Dec 16 13:06:49 GMT 2023
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EPA CompTox
DTXSID60224109
Created by admin on Sat Dec 16 13:06:49 GMT 2023 , Edited by admin on Sat Dec 16 13:06:49 GMT 2023
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