butyltin(3+); 3-(6-methylheptylsulfanyl)propanoate

Systemtic Name: butyltin(3+); 3-(6-methylheptylsulfanyl)propanoate Openeye Name: butyltin(3+); 3-(6-methylheptylsulfanyl)propanoate CAS Name: butyltin(3+); 3-(6-methylheptylthio)propanoate IUPAC Name: butyltin(3+); 3-(6-methylheptylsulfanyl)propanoate Traditional Name: butyltin(3+); 3-(6-methylheptylthio)propionate Formula: C37H72O6S3Sn MolecularWeight: 827.86898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C11H22O2S.C4H9.Sn/c3*1-10(2)6-4-3-5-8-14-9-7-11(12)13;1-3-4-2;/h3*10H,3-9H2,1-2H3,(H,12,13);1,3-4H2,2H3;/q;;;;+3/p-3