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85702-56-3 | 2-HYDROXYETHYL 4-[[DIBUTYL[(1-OXODODECYL)OXY]STANNYL]OXY]-4-OXOBUT-2-ENOATE
CAS No: 85702-56-3 Catalog No: AG004T4G MDL No:
Product Description
Catalog Number:
AG004T4G
Chemical Name:
2-HYDROXYETHYL 4-[[DIBUTYL[(1-OXODODECYL)OXY]STANNYL]OXY]-4-OXOBUT-2-ENOATE
CAS Number:
85702-56-3
Molecular Formula:
C26H48O7Sn
Molecular Weight:
591.3561
IUPAC Name:
4-O-[dibutyl(dodecanoyloxy)stannyl] 1-O-(2-hydroxyethyl) (Z)-but-2-enedioate
InChI:
InChI=1S/C12H24O2.C6H8O5.2C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;7-3-4-11-6(10)2-1-5(8)9;2*1-3-4-2;/h2-11H2,1H3,(H,13,14);1-2,7H,3-4H2,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2/b;2-1-;;;
InChI Key:
GLCIBGCASUVDTQ-ZMKTYRQVSA-L
SMILES:
CCCC[Sn](OC(=O)C=CC(=O)OCCO)(OC(=O)CCCCCCCCCCC)CCCC
EC Number:
288-247-2
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
592.242g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
591.373g/mol
Monoisotopic Mass:
592.242g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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