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Diisooctyl 2,2'-[(dimethylstannylene)bis(thio)]diacetate

Catalog Number ACM26636011-2
CAS 26636-01-1
Structure Diisooctyl 2,2'-[(dimethylstannylene)bis(thio)]diacetate
Synonyms Bis(isooctylthioglycolate)dimethyltin
IUPAC Name 6-Methylheptyl 2-[dimethyl-[2-(6-methylheptoxy)-2-oxoethyl]sulfanylstannyl]sulfanylacetate
Molecular Weight 555.4
Molecular Formula C22H44O4S2Sn
Canonical SMILES CC(C)CCCCCOC(=O)CS[Sn](C)(C)SCC(=O)OCCCCCC(C)C
InChI InChI=1S/2C10H20O2S.2CH3.Sn/c2*1-9(2)6-4-3-5-7-12-10(11)8-13;/h2*9,13H,3-8H2,1-2H3;2*1H3;/q;+2/p-2
InChI Key IRFPIPNMASANJY-UHFFFAOYSA-L
Flash Point 127 °C
Purity 99%
Complexity 405
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 0
Exact Mass 556.170305
Formal Charge 0
Heavy Atom Count 29
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
Monoisotopic Mass 556.170305
Rotatable Bond Count 20
Topological Polar Surface Area 103 Ų

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