methyltin(3+); 2-(2-sulfanylethyl)octanoate; disulfide

Systemtic Name: methyltin(3+); 2-(2-sulfanylethyl)octanoate; disulfide Openeye Name: methyltin(3+); 2-(2-sulfanylethyl)octanoate; disulfide CAS Name: 2-(2-mercaptoethyl)octanoate; methyltin(3+); disulfide IUPAC Name: methyltin(3+); 2-(2-sulfanylethyl)octanoate; disulfide Traditional Name: 2-(2-mercaptoethyl)caprylate; methyltin(3+); disulfide Formula: C42H82O8S6Sn2-2 MolecularWeight: 1144.90568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCS)C(=O)[O-].CCCCCCC(CCS)C(=O)[O-].CCCCCCC(CCS)C(=O)[O-].CCCCCCC(CCS)C(=O)[O-].C[Sn+3].C[Sn+3].[S-2].[S-2]

Isomeric SMILES

CCCCCCC(CCS)C(=O)[O-].CCCCCCC(CCS)C(=O)[O-].CCCCCCC(CCS)C(=O)[O-].CCCCCCC(CCS)C(=O)[O-].C[Sn+3].C[Sn+3].[S-2].[S-2]

InChI

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