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

Systemtic Name: butyltin(3+); 8-methyl-2-sulfanyl-nonanoate Openeye Name: butyltin(3+); 8-methyl-2-sulfanyl-nonanoate CAS Name: butyltin(3+); 2-mercapto-8-methylnonanoate IUPAC Name: butyltin(3+); 8-methyl-2-sulfanylnonanoate Traditional Name: butyltin(3+); 2-mercapto-8-methyl-pelargonate Formula: C34H66O6S3Sn MolecularWeight: 785.78924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C10H20O2S.C4H9.Sn/c3*1-8(2)6-4-3-5-7-9(13)10(11)12;1-3-4-2;/h3*8-9,13H,3-7H2,1-2H3,(H,11,12);1,3-4H2,2H3;/q;;;;+3/p-3