7,7-dimethyloctanoate; dioctyltin(2+)

Systemtic Name: 7,7-dimethyloctanoate; dioctyltin(2+) Openeye Name: 7,7-dimethyloctanoate; dioctyltin(2+) CAS Name: 7,7-dimethyloctanoate; dioctyltin(2+) IUPAC Name: 7,7-dimethyloctanoate; dioctyltin(2+) Traditional Name: 7,7-dimethylcaprylate; dioctyltin(2+) Formula: C36H72O4Sn MolecularWeight: 687.66448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[Sn+2]CCCCCCCC.CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCC[Sn+2]CCCCCCCC.CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-]

InChI

InChI=1S/2C10H20O2.2C8H17.Sn/c2*1-10(2,3)8-6-4-5-7-9(11)12;2*1-3-5-7-8-6-4-2;/h2*4-8H2,1-3H3,(H,11,12);2*1,3-8H2,2H3;/q;;;;+2/p-2