dibutyltin; 3-(3-oxidanidyl-3-oxidanylidene-propyl)sulfanylpropanoate; dihydrate

Systemtic Name: dibutyltin; 3-(3-oxidanidyl-3-oxidanylidene-propyl)sulfanylpropanoate; dihydrate Openeye Name: dibutyltin; 3-(3-oxido-3-oxo-propyl)sulfanylpropanoate; dihydrate CAS Name: dibutyltin; 3-[(3-oxido-3-oxopropyl)thio]propanoate; dihydrate IUPAC Name: dibutyltin; 3-(3-oxido-3-oxopropyl)sulfanylpropanoate; dihydrate Traditional Name: dibutyltin; 3-[(3-keto-3-oxido-propyl)thio]propionate; dihydrate Formula: C14H30O6SSn-2 MolecularWeight: 445.1594

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn]CCCC.C(CSCCC(=O)[O-])C(=O)[O-].O.O

Isomeric SMILES

CCCC[Sn]CCCC.C(CSCCC(=O)[O-])C(=O)[O-].O.O

InChI

InChI=1S/C6H10O4S.2C4H9.2H2O.Sn/c7-5(8)1-3-11-4-2-6(9)10;2*1-3-4-2;;;/h1-4H2,(H,7,8)(H,9,10);2*1,3-4H2,2H3;2*1H2;/p-2