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102390-10-3 | 2-Butenoic acid, 4-[[dioctyl[(1-oxododecyl)oxy]stannyl]oxy]-4-oxo-, (Z)- (9CI)
CAS No: 102390-10-3 Catalog No: AG0007C2 MDL No:
Product Description
Catalog Number:
AG0007C2
Chemical Name:
2-Butenoic acid, 4-[[dioctyl[(1-oxododecyl)oxy]stannyl]oxy]-4-oxo-, (Z)- (9CI)
CAS Number:
102390-10-3
Molecular Formula:
C32H60O6Sn
Molecular Weight:
659.5162
IUPAC Name:
4-[dodecanoyloxy(dioctyl)stannyl]oxy-4-oxobut-2-enoic acid
InChI:
InChI=1S/C12H24O2.2C8H17.C4H4O4.Sn/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-5-7-8-6-4-2;5-3(6)1-2-4(7)8;/h2-11H2,1H3,(H,13,14);2*1,3-8H2,2H3;1-2H,(H,5,6)(H,7,8);/q;;;;+2/p-2
InChI Key:
BQBZCXCJGAKQMH-UHFFFAOYSA-L
SMILES:
CCCCCCCCCCCC(=O)O[Sn](OC(=O)/C=C\C(=O)O)(CCCCCCCC)CCCCCCCC
Properties
Complexity:
633
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
660.341g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
659.536g/mol
Monoisotopic Mass:
660.341g/mol
Rotatable Bond Count:
30
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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