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

Systemtic Name: 3-oxidanylidenebutyltin(3+); 2-(2-sulfanylethyl)octanoate; sulfide Openeye Name: 3-oxobutyltin(3+); 2-(2-sulfanylethyl)octanoate; sulfide CAS Name: 2-(2-mercaptoethyl)octanoate; 3-oxobutyltin(3+); sulfide IUPAC Name: 3-oxobutyltin(3+); 2-(2-sulfanylethyl)octanoate; sulfide Traditional Name: 3-ketobutyltin(3+); 2-(2-mercaptoethyl)caprylate; sulfide Formula: C48H90O10S5Sn2 MolecularWeight: 1224.9672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCS)C(=O)[O-].CCCCCCC(CCS)C(=O)[O-].CCCCCCC(CCS)C(=O)[O-].CCCCCCC(CCS)C(=O)[O-].CC(=O)CC[Sn+3].CC(=O)CC[Sn+3].[S-2]

Isomeric SMILES

CCCCCCC(CCS)C(=O)[O-].CCCCCCC(CCS)C(=O)[O-].CCCCCCC(CCS)C(=O)[O-].CCCCCCC(CCS)C(=O)[O-].CC(=O)CC[Sn+3].CC(=O)CC[Sn+3].[S-2]

InChI

InChI=1S/4C10H20O2S.2C4H7O.S.2Sn/c4*1-2-3-4-5-6-9(7-8-13)10(11)12;2*1-3-4(2)5;;;/h4*9,13H,2-8H2,1H3,(H,11,12);2*1,3H2,2H3;;;/q;;;;;;-2;2*+3/p-4