8-methyl-2-(6-methylheptyl)-2-sulfanyl-nonanoate; methyltin(3+)

Systemtic Name: 8-methyl-2-(6-methylheptyl)-2-sulfanyl-nonanoate; methyltin(3+) Openeye Name: 8-methyl-2-(6-methylheptyl)-2-sulfanyl-nonanoate; methyltin(3+) CAS Name: 2-mercapto-8-methyl-2-(6-methylheptyl)nonanoate; methyltin(3+) IUPAC Name: 8-methyl-2-(6-methylheptyl)-2-sulfanylnonanoate; methyltin(3+) Traditional Name: 2-mercapto-8-methyl-2-(6-methylheptyl)pelargonate; methyltin(3+) Formula: C55H108O6S3Sn MolecularWeight: 1080.34742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C18H36O2S.CH3.Sn/c3*1-15(2)11-7-5-9-13-18(21,17(19)20)14-10-6-8-12-16(3)4;;/h3*15-16,21H,5-14H2,1-4H3,(H,19,20);1H3;/q;;;;+3/p-3