2-butyl-4-ethyl-octanoate; dioctyltin(2+)

Systemtic Name: 2-butyl-4-ethyl-octanoate; dioctyltin(2+) Openeye Name: 2-butyl-4-ethyl-octanoate; dioctyltin(2+) CAS Name: 2-butyl-4-ethyloctanoate; dioctyltin(2+) IUPAC Name: 2-butyl-4-ethyloctanoate; dioctyltin(2+) Traditional Name: 2-butyl-4-ethyl-caprylate; dioctyltin(2+) Formula: C44H88O4Sn MolecularWeight: 799.87712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C14H28O2.2C8H17.Sn/c2*1-4-7-9-12(6-3)11-13(14(15)16)10-8-5-2;2*1-3-5-7-8-6-4-2;/h2*12-13H,4-11H2,1-3H3,(H,15,16);2*1,3-8H2,2H3;/q;;;;+2/p-2