2-methyldecanoate; octyltin(3+)

Systemtic Name: 2-methyldecanoate; octyltin(3+) Openeye Name: 2-methyldecanoate; octyltin(3+) CAS Name: 2-methyldecanoate; octyltin(3+) IUPAC Name: 2-methyldecanoate; octyltin(3+) Traditional Name: 2-methylcaprate; octyltin(3+) Formula: C41H80O6Sn MolecularWeight: 787.7803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)C(=O)[O-].CCCCCCCCC(C)C(=O)[O-].CCCCCCCCC(C)C(=O)[O-].CCCCCCCC[Sn+3]

Isomeric SMILES

CCCCCCCCC(C)C(=O)[O-].CCCCCCCCC(C)C(=O)[O-].CCCCCCCCC(C)C(=O)[O-].CCCCCCCC[Sn+3]

InChI

InChI=1S/3C11H22O2.C8H17.Sn/c3*1-3-4-5-6-7-8-9-10(2)11(12)13;1-3-5-7-8-6-4-2;/h3*10H,3-9H2,1-2H3,(H,12,13);1,3-8H2,2H3;/q;;;;+3/p-3