hexacosanoate; 2-methylpropyltin(3+)

Systemtic Name: hexacosanoate; 2-methylpropyltin(3+) Openeye Name: hexacosanoate; isobutyltin(3+) CAS Name: hexacosanoate; 2-methylpropyltin(3+) IUPAC Name: hexacosanoate; 2-methylpropyltin(3+) Traditional Name: cerotate; isobutyltin(3+) Formula: C82H162O6Sn MolecularWeight: 1362.87008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CC(C)C[Sn+3]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CC(C)C[Sn+3]

InChI

InChI=1S/3C26H52O2.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28;1-4(2)3;/h3*2-25H2,1H3,(H,27,28);4H,1H2,2-3H3;/q;;;;+3/p-3