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85702-78-9 | Stannane,dioctylbis[(1-oxoisooctyl)oxy]- (9CI)
CAS No: 85702-78-9 Catalog No: AG004PPA MDL No:
Product Description
Catalog Number:
AG004PPA
Chemical Name:
Stannane,dioctylbis[(1-oxoisooctyl)oxy]- (9CI)
CAS Number:
85702-78-9
Molecular Formula:
C32H64O4Sn
Molecular Weight:
631.5492
IUPAC Name:
[6-methylheptanoyloxy(dioctyl)stannyl] 6-methylheptanoate
InChI:
InChI=1S/2C8H16O2.2C8H17.Sn/c2*1-7(2)5-3-4-6-8(9)10;2*1-3-5-7-8-6-4-2;/h2*7H,3-6H2,1-2H3,(H,9,10);2*1,3-8H2,2H3;/q;;;;+2/p-2
InChI Key:
CDEXOKIIOQEULQ-UHFFFAOYSA-L
SMILES:
CCCCCCCC[Sn](OC(=O)CCCCC(C)C)(OC(=O)CCCCC(C)C)CCCCCCCC
EC Number:
288-269-2
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
632.383g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
631.57g/mol
Monoisotopic Mass:
632.383g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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