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

Systemtic Name: butyltin(3+); (E)-2-(2-sulfanylethyl)octadec-9-enoate; sulfide Openeye Name: butyltin(3+); (E)-2-(2-sulfanylethyl)octadec-9-enoate; sulfide CAS Name: butyltin(3+); (E)-2-(2-mercaptoethyl)-9-octadecenoate; sulfide IUPAC Name: butyltin(3+); (E)-2-(2-sulfanylethyl)octadec-9-enoate; sulfide Traditional Name: butyltin(3+); (E)-2-(2-mercaptoethyl)octadec-9-enoate; sulfide Formula: C64H120O6S4Sn-2 MolecularWeight: 1232.604

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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-].CCCC[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.CCCC[Sn+3].[S-2]

InChI

InChI=1S/3C20H38O2S.C4H9.S.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(17-18-23)20(21)22;1-3-4-2;;/h3*9-10,19,23H,2-8,11-18H2,1H3,(H,21,22);1,3-4H2,2H3;;/q;;;;-2;+3/p-3/b3*10-9+;;;