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

Systemtic Name: 8-methyl-2-(6-methylheptyl)-2-sulfanyl-nonanoate; methyltin(3+); disulfide Openeye Name: 8-methyl-2-(6-methylheptyl)-2-sulfanyl-nonanoate; methyltin(3+); disulfide CAS Name: 2-mercapto-8-methyl-2-(6-methylheptyl)nonanoate; methyltin(3+); disulfide IUPAC Name: 8-methyl-2-(6-methylheptyl)-2-sulfanylnonanoate; methyltin(3+); disulfide Traditional Name: 2-mercapto-8-methyl-2-(6-methylheptyl)pelargonate; methyltin(3+); disulfide Formula: C110H216O12S8Sn2-4 MolecularWeight: 2224.82484

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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.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].C[Sn+3].[S-2].[S-2]

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.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].C[Sn+3].[S-2].[S-2]

InChI

InChI=1S/6C18H36O2S.2CH3.2S.2Sn/c6*1-15(2)11-7-5-9-13-18(21,17(19)20)14-10-6-8-12-16(3)4;;;;;;/h6*15-16,21H,5-14H2,1-4H3,(H,19,20);2*1H3;;;;/q;;;;;;;;2*-2;2*+3/p-6