2-(6-methylheptylsulfanyl)ethanoate; octyltin(3+)

Systemtic Name: 2-(6-methylheptylsulfanyl)ethanoate; octyltin(3+) Openeye Name: 2-(6-methylheptylsulfanyl)acetate; octyltin(3+) CAS Name: 2-(6-methylheptylthio)acetate; octyltin(3+) IUPAC Name: 2-(6-methylheptylsulfanyl)acetate; octyltin(3+) Traditional Name: 2-(6-methylheptylthio)acetate; octyltin(3+) Formula: C38H74O6S3Sn MolecularWeight: 841.89556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[Sn+3].CC(C)CCCCCSCC(=O)[O-].CC(C)CCCCCSCC(=O)[O-].CC(C)CCCCCSCC(=O)[O-]

Isomeric SMILES

CCCCCCCC[Sn+3].CC(C)CCCCCSCC(=O)[O-].CC(C)CCCCCSCC(=O)[O-].CC(C)CCCCCSCC(=O)[O-]

InChI

InChI=1S/3C10H20O2S.C8H17.Sn/c3*1-9(2)6-4-3-5-7-13-8-10(11)12;1-3-5-7-8-6-4-2;/h3*9H,3-8H2,1-2H3,(H,11,12);1,3-8H2,2H3;/q;;;;+3/p-3