butyltin(3+); docosanoate

Systemtic Name: butyltin(3+); docosanoate Openeye Name: butyltin(3+); docosanoate CAS Name: butyltin(3+); docosanoate IUPAC Name: butyltin(3+); docosanoate Traditional Name: behenate; butyltin(3+) Formula: C70H138O6Sn MolecularWeight: 1194.55112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCC[Sn+3]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCC[Sn+3]

InChI

InChI=1S/3C22H44O2.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;1-3-4-2;/h3*2-21H2,1H3,(H,23,24);1,3-4H2,2H3;/q;;;;+3/p-3