4,4-dimethyloctanoate; tributyltin; hydrate

Systemtic Name: 4,4-dimethyloctanoate; tributyltin; hydrate Openeye Name: 4,4-dimethyloctanoate; tributyltin; hydrate CAS Name: 4,4-dimethyloctanoate; tributyltin; hydrate IUPAC Name: 4,4-dimethyloctanoate; tributyltin; hydrate Traditional Name: 4,4-dimethylcaprylate; tributyltin; hydrate Formula: C22H48O3Sn- MolecularWeight: 479.32472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)CCC(=O)[O-].CCCC[Sn](CCCC)CCCC.O

Isomeric SMILES

CCCCC(C)(C)CCC(=O)[O-].CCCC[Sn](CCCC)CCCC.O

InChI

InChI=1S/C10H20O2.3C4H9.H2O.Sn/c1-4-5-7-10(2,3)8-6-9(11)12;3*1-3-4-2;;/h4-8H2,1-3H3,(H,11,12);3*1,3-4H2,2H3;1H2;/p-1