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138815-83-5 | Butanoic acid, 2,2'-[(dibutylstannylene)bis(oxycarbonyl)]bis[2-ethyl- (9CI)
CAS No: 138815-83-5 Catalog No: AG0019N6 MDL No:
Product Description
Catalog Number:
AG0019N6
Chemical Name:
Butanoic acid, 2,2'-[(dibutylstannylene)bis(oxycarbonyl)]bis[2-ethyl- (9CI)
CAS Number:
138815-83-5
Molecular Formula:
C22H40O8Sn
Molecular Weight:
551.2492
IUPAC Name:
2-[dibutyl-(2-carboxy-2-ethylbutanoyl)oxystannyl]oxycarbonyl-2-ethylbutanoic acid
InChI:
InChI=1S/2C7H12O4.2C4H9.Sn/c2*1-3-7(4-2,5(8)9)6(10)11;2*1-3-4-2;/h2*3-4H2,1-2H3,(H,8,9)(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChI Key:
RSJWUZFRDSTFGE-UHFFFAOYSA-L
SMILES:
CCCC[Sn](OC(=O)C(C(=O)O)(CC)CC)(OC(=O)C(C(=O)O)(CC)CC)CCCC
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
552.175g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
551.264g/mol
Monoisotopic Mass:
552.175g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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