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84029-79-8 | 3,8,10-Trioxa-9-stannatetradeca-5,12-dien-14-oicacid, 9,9-didodecyl-4,7,11-trioxo-, ethyl ester, (Z,Z)- (9CI)
CAS No: 84029-79-8 Catalog No: AG004QF1 MDL No:
Product Description
Catalog Number:
AG004QF1
Chemical Name:
3,8,10-Trioxa-9-stannatetradeca-5,12-dien-14-oicacid, 9,9-didodecyl-4,7,11-trioxo-, ethyl ester, (Z,Z)- (9CI)
CAS Number:
84029-79-8
Molecular Formula:
C36H64O8Sn
Molecular Weight:
743.5896
IUPAC Name:
4-O-[didodecyl-[(Z)-4-ethoxy-4-oxobut-2-enoyl]oxystannyl] 1-O-ethyl (Z)-but-2-enedioate
InChI:
InChI=1S/2C12H25.2C6H8O4.Sn/c2*1-3-5-7-9-11-12-10-8-6-4-2;2*1-2-10-6(9)4-3-5(7)8;/h2*1,3-12H2,2H3;2*3-4H,2H2,1H3,(H,7,8);/q;;;;+2/p-2/b;;2*4-3-;
InChI Key:
JXBYJBIZKJAFKV-DERJAXIWSA-L
SMILES:
CCCCCCCCCCCC[Sn](OC(=O)/C=C\C(=O)OCC)(OC(=O)/C=C\C(=O)OCC)CCCCCCCCCCCC
EC Number:
281-749-2
Properties
Complexity:
771
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
744.362g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
743.61g/mol
Monoisotopic Mass:
744.362g/mol
Rotatable Bond Count:
34
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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