8-methyl-2-(6-methylheptyl)-2-sulfanyl-nonanoate; tin(4+)

Systemtic Name: 8-methyl-2-(6-methylheptyl)-2-sulfanyl-nonanoate; tin(4+) Openeye Name: stannic 8-methyl-2-(6-methylheptyl)-2-sulfanyl-nonanoate CAS Name: 2-mercapto-8-methyl-2-(6-methylheptyl)nonanoate; tin(4+) IUPAC Name: 8-methyl-2-(6-methylheptyl)-2-sulfanylnonanoate; tin(4+) Traditional Name: stannic 2-mercapto-8-methyl-2-(6-methylheptyl)pelargonate Formula: C72H140O8S4Sn MolecularWeight: 1380.8472

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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.[Sn+4]

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.[Sn+4]

InChI

InChI=1S/4C18H36O2S.Sn/c4*1-15(2)11-7-5-9-13-18(21,17(19)20)14-10-6-8-12-16(3)4;/h4*15-16,21H,5-14H2,1-4H3,(H,19,20);/q;;;;+4/p-4