2-(6-methylheptoxy)-2-oxidanylidene-ethanethiolate; octyltin(3+)

Systemtic Name: 2-(6-methylheptoxy)-2-oxidanylidene-ethanethiolate; octyltin(3+) Openeye Name: 2-(6-methylheptoxy)-2-oxo-ethanethiolate; octyltin(3+) CAS Name: 2-(6-methylheptoxy)-2-oxoethanethiolate; octyltin(3+) IUPAC Name: 2-(6-methylheptoxy)-2-oxoethanethiolate; octyltin(3+) Traditional Name: 2-keto-2-(6-methylheptoxy)ethanethiolate; octyltin(3+) Formula: C38H74O6S3Sn MolecularWeight: 841.89556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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