methyltin(3+); (E)-2-(2-sulfanylethyl)octadec-9-enoate; sulfide

Systemtic Name: methyltin(3+); (E)-2-(2-sulfanylethyl)octadec-9-enoate; sulfide Openeye Name: methyltin(3+); (E)-2-(2-sulfanylethyl)octadec-9-enoate; sulfide CAS Name: (E)-2-(2-mercaptoethyl)-9-octadecenoate; methyltin(3+); sulfide IUPAC Name: methyltin(3+); (E)-2-(2-sulfanylethyl)octadec-9-enoate; sulfide Traditional Name: (E)-2-(2-mercaptoethyl)octadec-9-enoate; methyltin(3+); sulfide Formula: C82H154O8S5Sn2 MolecularWeight: 1665.84036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C20H38O2S.2CH3.S.2Sn/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(17-18-23)20(21)22;;;;;/h4*9-10,19,23H,2-8,11-18H2,1H3,(H,21,22);2*1H3;;;/q;;;;;;-2;2*+3/p-4/b4*10-9+;;;;;