24850-33-7 Purity
>95.0%(GC)
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Specification
The molecular formula is C32H56O8Sn.
The IUPAC name is 4-O-[dibutyl-[(E)-4-(6-methylheptoxy)-4-oxobut-2-enoyl]oxystannyl] 1-O-(6-methylheptyl) (E)-but-2-enedioate.
The InChI is InChI=1S/2C12H20O4.2C4H9.Sn/c2*1-10(2)6-4-3-5-9-16-12(15)8-7-11(13)14;2*1-3-4-2;/h2*7-8,10H,3-6,9H2,1-2H3,(H,13,14);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*8-7+;;;.
The InChIKey is VLQWDCKTDZZUSU-FTHVFMQUSA-L.
The canonical SMILES is CCCC[Sn](CCCC)(OC(=O)C=CC(=O)OCCCCCC(C)C)OC(=O)C=CC(=O)OCCCCCC(C)C.
The isomeric SMILES is CCCC[Sn](OC(=O)/C=C/C(=O)OCCCCCC(C)C)(OC(=O)/C=C/C(=O)OCCCCCC(C)C)CCCC.
The CAS number is 25168-21-2.
The European Community (EC) Number is 246-701-7.
The molecular weight is 687.5 g/mol.
It has 28 rotatable bonds.