3-oxidanylidenebutyltin(3+); 2-(2-sulfanylethyl)octanoate

Systemtic Name: 3-oxidanylidenebutyltin(3+); 2-(2-sulfanylethyl)octanoate Openeye Name: 3-oxobutyltin(3+); 2-(2-sulfanylethyl)octanoate CAS Name: 2-(2-mercaptoethyl)octanoate; 3-oxobutyltin(3+) IUPAC Name: 3-oxobutyltin(3+); 2-(2-sulfanylethyl)octanoate Traditional Name: 3-ketobutyltin(3+); 2-(2-mercaptoethyl)caprylate Formula: C24H45O5S2Sn+ MolecularWeight: 596.4511

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCS)C(=O)[O-].CCCCCCC(CCS)C(=O)[O-].CC(=O)CC[Sn+3]

Isomeric SMILES

CCCCCCC(CCS)C(=O)[O-].CCCCCCC(CCS)C(=O)[O-].CC(=O)CC[Sn+3]

InChI

InChI=1S/2C10H20O2S.C4H7O.Sn/c2*1-2-3-4-5-6-9(7-8-13)10(11)12;1-3-4(2)5;/h2*9,13H,2-8H2,1H3,(H,11,12);1,3H2,2H3;/q;;;+3/p-2