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(dibutylstannylene)bis(thioethylene) dipalmitate(CAS No. 68298-42-0)

(dibutylstannylene)bis(thioethylene) dipalmitate C44H88O4S2Sn (cas 68298-42-0) Molecular Structure

68298-42-0 Structure

Identification and Related Records

【Name】
(dibutylstannylene)bis(thioethylene) dipalmitate
【Iupac name】
2-[dibutyl(2-hexadecanoyloxyethylsulfanyl)stannyl]sulfanylethyl
hexadecanoate
【CAS Registry number】
68298-42-0
【Synonyms】
(dibutylstannylene)bis(thioethylene) dipalmitate
Bishexadecanoic acid (dibutylstannanediyl)bis(thio-2,1-ethanediyl) ester
【EINECS(EC#)】
269-566-6
【Molecular Formula】
C44H88O4S2Sn (Products with the same molecular formula)
【Molecular Weight】
864.00712
【Inchi】
InChI=1/2C18H36O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(19)20-16-17-21;2*1-3-4-2;/h2*21H,2-17H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/r2C18H36O2S.C8H18Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(19)20-16-17-21;1-3-5-7-9-8-6-4-2/h2*21H,2-17H2,1H3;3-8H2,1-2H3/q;;+2/p-2
【Canonical SMILES】
CCCCCCCCCCCCCCCC(=O)OCCS[Sn](CCCC)(CCCC)SCCOC(=O)CCCCCCCCCCCCCCC

Chemical and Physical Properties

【Density】
g/cm3
【Boiling Point】
400.7°C at 760 mmHg
【Flash Point】
245.2°C
【Computed Properties】
Molecular Weight:864.00712 [g/mol]
Molecular Formula:C44H88O4S2Sn
H-Bond Donor:0
H-Bond Acceptor:6
Rotatable Bond Count:44
Exact Mass:864.514599
MonoIsotopic Mass:864.514599
Topological Polar Surface Area:103
Heavy Atom Count:51
Formal Charge:0
Complexity:678
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

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