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30993-07-8 | Acetic acid, 2,2'-[(dioctylstannylene)bis(thio)]bis-, dicyclohexyl ester (9CI)
CAS No: 30993-07-8 Catalog No: AG0031VC MDL No:
Product Description
Catalog Number:
AG0031VC
Chemical Name:
Acetic acid, 2,2'-[(dioctylstannylene)bis(thio)]bis-, dicyclohexyl ester (9CI)
CAS Number:
30993-07-8
Molecular Formula:
C32H60O4S2Sn
Molecular Weight:
691.6474
IUPAC Name:
cyclohexyl 2-[(2-cyclohexyloxy-2-oxoethyl)sulfanyl-dioctylstannyl]sulfanylacetate
InChI:
InChI=1S/2C8H14O2S.2C8H17.Sn/c2*9-8(6-11)10-7-4-2-1-3-5-7;2*1-3-5-7-8-6-4-2;/h2*7,11H,1-6H2;2*1,3-8H2,2H3;/q;;;;+2/p-2
InChI Key:
LJMMRGZGVSGHHV-UHFFFAOYSA-L
SMILES:
CCCCCCCC[Sn](SCC(=O)OC1CCCCC1)(SCC(=O)OC1CCCCC1)CCCCCCCC
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
692.296g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
691.658g/mol
Monoisotopic Mass:
692.296g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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