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

Details

Stereochemistry ACHIRAL
Molecular Formula C38H56O8S2Sn
Molecular Weight 823.686
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2-Benzenedicarboxylic acid, (dimethylstannylene)bis(thio-2,1-ethanediyl) diisooctyl ester

SMILES

CC(C)CCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCS[Sn](C)(C)SCCOC(=O)C2=C(C=CC=C2)C(=O)OCCCCCC(C)C

InChI

InChIKey=YMPUMNKAEHYGQG-UHFFFAOYSA-L
InChI=1S/2C18H26O4S.2CH3.Sn/c2*1-14(2)8-4-3-7-11-21-17(19)15-9-5-6-10-16(15)18(20)22-12-13-23;;;/h2*5-6,9-10,14,23H,3-4,7-8,11-13H2,1-2H3;2*1H3;/q;;;;+2/p-2

HIDE SMILES / InChI

Molecular Formula C38H56O8S2Sn
Molecular Weight 823.686
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 18:53:22 GMT 2025
Edited
by admin
on Tue Apr 01 18:53:22 GMT 2025
Record UNII
CEK9T9D9RY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2-Benzenedicarboxylic acid, (dimethylstannylene)bis(thio-2,1-ethanediyl) diisooctyl ester
Common Name English
1,2-Benzenedicarboxylic acid, 1,1?-[(dimethylstannylene)bis(thio-2,1-ethanediyl)] 2,2?-diisooctyl ester
Preferred Name English
Code System Code Type Description
ECHA (EC/EINECS)
267-735-9
Created by admin on Tue Apr 01 18:53:22 GMT 2025 , Edited by admin on Tue Apr 01 18:53:22 GMT 2025
PRIMARY
PUBCHEM
9576344
Created by admin on Tue Apr 01 18:53:22 GMT 2025 , Edited by admin on Tue Apr 01 18:53:22 GMT 2025
PRIMARY
CAS
67907-15-7
Created by admin on Tue Apr 01 18:53:22 GMT 2025 , Edited by admin on Tue Apr 01 18:53:22 GMT 2025
PRIMARY
FDA UNII
CEK9T9D9RY
Created by admin on Tue Apr 01 18:53:22 GMT 2025 , Edited by admin on Tue Apr 01 18:53:22 GMT 2025
PRIMARY
EPA CompTox
DTXSID7070842
Created by admin on Tue Apr 01 18:53:22 GMT 2025 , Edited by admin on Tue Apr 01 18:53:22 GMT 2025
PRIMARY