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10039-33-5

10039-33-5 | 5,7,12-Trioxa-6-stannaoctadeca-2,9-dienoic acid, 14-ethyl-6,6-dioctyl-4,8,11-trioxo-, 2-ethylhexyl ester

CAS No: 10039-33-5 Catalog No: AG0001VR MDL No:

Product Description

Catalog Number:
AG0001VR
Chemical Name:
5,7,12-Trioxa-6-stannaoctadeca-2,9-dienoic acid, 14-ethyl-6,6-dioctyl-4,8,11-trioxo-, 2-ethylhexyl ester
CAS Number:
10039-33-5
Molecular Formula:
C40H72O8Sn
Molecular Weight:
799.6959
IUPAC Name:
4-O-[[(E)-4-(2-ethylhexoxy)-4-oxobut-2-enoyl]oxy-dioctylstannyl] 1-O-(2-ethylhexyl) (E)-but-2-enedioate
InChI:
InChI=1S/2C12H20O4.2C8H17.Sn/c2*1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14;2*1-3-5-7-8-6-4-2;/h2*7-8,10H,3-6,9H2,1-2H3,(H,13,14);2*1,3-8H2,2H3;/q;;;;+2/p-2/b2*8-7+;;;
InChI Key:
LUHRVCWDUSUHMP-FTHVFMQUSA-L
SMILES:
CCCCCCCC[Sn](OC(=O)C=CC(=O)OCC(CCCC)CC)(OC(=O)C=CC(=O)OCC(CCCC)CC)CCCCCCCC
EC Number:
233-117-2

Properties

Complexity:
857  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2  
Exact Mass:
800.425g/mol
Formal Charge:
0
Heavy Atom Count:
49  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
799.718g/mol
Monoisotopic Mass:
800.425g/mol
Rotatable Bond Count:
36  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0

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