butyltin(3+); 8-methyl-2-sulfanyl-nonanoate; sulfide

Systemtic Name: butyltin(3+); 8-methyl-2-sulfanyl-nonanoate; sulfide Openeye Name: butyltin(3+); 8-methyl-2-sulfanyl-nonanoate; sulfide CAS Name: butyltin(3+); 2-mercapto-8-methylnonanoate; sulfide IUPAC Name: butyltin(3+); 8-methyl-2-sulfanylnonanoate; sulfide Traditional Name: butyltin(3+); 2-mercapto-8-methyl-pelargonate; sulfide Formula: C48H94O8S5Sn2 MolecularWeight: 1197.00016

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn+3].CCCC[Sn+3].CC(C)CCCCCC(C(=O)[O-])S.CC(C)CCCCCC(C(=O)[O-])S.CC(C)CCCCCC(C(=O)[O-])S.CC(C)CCCCCC(C(=O)[O-])S.[S-2]

Isomeric SMILES

CCCC[Sn+3].CCCC[Sn+3].CC(C)CCCCCC(C(=O)[O-])S.CC(C)CCCCCC(C(=O)[O-])S.CC(C)CCCCCC(C(=O)[O-])S.CC(C)CCCCCC(C(=O)[O-])S.[S-2]

InChI

InChI=1S/4C10H20O2S.2C4H9.S.2Sn/c4*1-8(2)6-4-3-5-7-9(13)10(11)12;2*1-3-4-2;;;/h4*8-9,13H,3-7H2,1-2H3,(H,11,12);2*1,3-4H2,2H3;;;/q;;;;;;-2;2*+3/p-4