octyltin(3+); 2-(1-oxidanidyl-1-oxidanylidene-propan-2-yl)sulfanylpropanoate

Systemtic Name: octyltin(3+); 2-(1-oxidanidyl-1-oxidanylidene-propan-2-yl)sulfanylpropanoate Openeye Name: 2-(1-methyl-2-oxido-2-oxo-ethyl)sulfanylpropanoate; octyltin(3+) CAS Name: octyltin(3+); 2-[(1-oxido-1-oxopropan-2-yl)thio]propanoate IUPAC Name: octyltin(3+); 2-(1-oxido-1-oxopropan-2-yl)sulfanylpropanoate Traditional Name: 2-[(2-keto-1-methyl-2-oxido-ethyl)thio]propionate; octyltin(3+) Formula: C34H58O12S3Sn2 MolecularWeight: 992.43212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H17.3C6H10O4S.2Sn/c2*1-3-5-7-8-6-4-2;3*1-3(5(7)8)11-4(2)6(9)10;;/h2*1,3-8H2,2H3;3*3-4H,1-2H3,(H,7,8)(H,9,10);;/q;;;;;2*+3/p-6