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

Systemtic Name: 8-methyl-2-sulfanyl-nonanoate; methyltin(3+); sulfide Openeye Name: 8-methyl-2-sulfanyl-nonanoate; methyltin(3+); sulfide CAS Name: 2-mercapto-8-methylnonanoate; methyltin(3+); sulfide IUPAC Name: 8-methyl-2-sulfanylnonanoate; methyltin(3+); sulfide Traditional Name: 2-mercapto-8-methyl-pelargonate; methyltin(3+); sulfide Formula: C42H82O8S5Sn2 MolecularWeight: 1112.84068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC(C(=O)[O-])S.CC(C)CCCCCC(C(=O)[O-])S.CC(C)CCCCCC(C(=O)[O-])S.CC(C)CCCCCC(C(=O)[O-])S.C[Sn+3].C[Sn+3].[S-2]

Isomeric SMILES

CC(C)CCCCCC(C(=O)[O-])S.CC(C)CCCCCC(C(=O)[O-])S.CC(C)CCCCCC(C(=O)[O-])S.CC(C)CCCCCC(C(=O)[O-])S.C[Sn+3].C[Sn+3].[S-2]

InChI

InChI=1S/4C10H20O2S.2CH3.S.2Sn/c4*1-8(2)6-4-3-5-7-9(13)10(11)12;;;;;/h4*8-9,13H,3-7H2,1-2H3,(H,11,12);2*1H3;;;/q;;;;;;-2;2*+3/p-4