U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C32H54Cl4O4Sn2
Molecular Weight 882.001
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4,5,6-TETRACHLOROPHENYL-1,2-DICRBOXYLATOBIS(TRIBUTYLTIN(IV))

SMILES

CCCC[Sn](CCCC)(CCCC)OC(=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1C(=O)O[Sn](CCCC)(CCCC)CCCC

InChI

InChIKey=BQHRYDKHQXDUBU-UHFFFAOYSA-L
InChI=1S/C8H2Cl4O4.6C4H9.2Sn/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11;6*1-3-4-2;;/h(H,13,14)(H,15,16);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula C32H54Cl4O4Sn2
Molecular Weight 882.001
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 12:26:53 GMT 2023
Edited
by admin
on Sat Dec 16 12:26:53 GMT 2023
Record UNII
Q9FZG7R584
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4,5,6-TETRACHLOROPHENYL-1,2-DICRBOXYLATOBIS(TRIBUTYLTIN(IV))
Systematic Name English
BIS(TRIBUTYLSTANNYL) 3,4,5,6-TETRACHLOROPHTHALATE
Systematic Name English
STANNANE, ((3,4,5,6-TETRACHLORO-1,2-PHENYLENE)BIS(CARBONYLOXY))BIS(TRIBUTYL-
Systematic Name English
((TETRACHLOROPHTHALOYL)BIS(OXY))BIS(TRIBUTYLSTANNANE)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID4073469
Created by admin on Sat Dec 16 12:26:53 GMT 2023 , Edited by admin on Sat Dec 16 12:26:53 GMT 2023
PRIMARY
ECHA (EC/EINECS)
250-627-0
Created by admin on Sat Dec 16 12:26:53 GMT 2023 , Edited by admin on Sat Dec 16 12:26:53 GMT 2023
PRIMARY
PUBCHEM
16684077
Created by admin on Sat Dec 16 12:26:53 GMT 2023 , Edited by admin on Sat Dec 16 12:26:53 GMT 2023
PRIMARY
FDA UNII
Q9FZG7R584
Created by admin on Sat Dec 16 12:26:53 GMT 2023 , Edited by admin on Sat Dec 16 12:26:53 GMT 2023
PRIMARY
CAS
31430-86-1
Created by admin on Sat Dec 16 12:26:53 GMT 2023 , Edited by admin on Sat Dec 16 12:26:53 GMT 2023
PRIMARY