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

Systemtic Name: butyltin(3+); (E)-2-(2-sulfanylethyl)-3-sulfanylidene-octadec-9-enoate Openeye Name: butyltin(3+); (E)-2-(2-sulfanylethyl)-3-thioxo-octadec-9-enoate CAS Name: butyltin(3+); (E)-2-(2-mercaptoethyl)-3-sulfanylidene-9-octadecenoate IUPAC Name: butyltin(3+); (E)-2-(2-sulfanylethyl)-3-sulfanylideneoctadec-9-enoate Traditional Name: butyltin(3+); (E)-2-(2-mercaptoethyl)-3-thioxo-octadec-9-enoate Formula: C64H114O6S6Sn MolecularWeight: 1290.68636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C20H36O2S2.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(24)18(16-17-23)20(21)22;1-3-4-2;/h3*9-10,18,23H,2-8,11-17H2,1H3,(H,21,22);1,3-4H2,2H3;/q;;;;+3/p-3/b3*10-9+;;