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

Systemtic Name: 6-methylheptyl 8-methyl-2-(6-methylheptyl)-2-sulfanyl-nonanoate; octyltin(3+) Openeye Name: 6-methylheptyl 8-methyl-2-(6-methylheptyl)-2-sulfanyl-nonanoate; octyltin(3+) CAS Name: 2-mercapto-8-methyl-2-(6-methylheptyl)nonanoic acid 6-methylheptyl ester; octyltin(3+) IUPAC Name: 6-methylheptyl 8-methyl-2-(6-methylheptyl)-2-sulfanylnonanoate; octyltin(3+) Traditional Name: 2-mercapto-8-methyl-2-(6-methylheptyl)pelargonic acid 6-methylheptyl ester; octyltin(3+) Formula: C34H69O2SSn+3 MolecularWeight: 660.68546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H52O2S.C8H17.Sn/c1-22(2)16-10-7-13-19-26(29,20-14-8-11-17-23(3)4)25(27)28-21-15-9-12-18-24(5)6;1-3-5-7-8-6-4-2;/h22-24,29H,7-21H2,1-6H3;1,3-8H2,2H3;/q;;+3