dibutyltin(2+); oxygen(2-); (E)-2-(sulfanylmethyl)icos-11-enoate

Systemtic Name: dibutyltin(2+); oxygen(2-); (E)-2-(sulfanylmethyl)icos-11-enoate Openeye Name: dibutyltin(2+); oxygen(2-); (E)-2-(sulfanylmethyl)icos-11-enoate CAS Name: dibutyltin(2+); (E)-2-(mercaptomethyl)-11-eicosenoate; oxygen(2-) IUPAC Name: dibutyltin(2+); oxygen(2-); (E)-2-(sulfanylmethyl)icos-11-enoate Traditional Name: dibutyltin(2+); (E)-2-(mercaptomethyl)eicos-11-enoate; oxygen(2-) Formula: C100H192O9S4Sn2-2 MolecularWeight: 1904.26908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC(CS)C(=O)[O-].CCCCCCCCC=CCCCCCCCCC(CS)C(=O)[O-].CCCCCCCCC=CCCCCCCCCC(CS)C(=O)[O-].CCCCCCCCC=CCCCCCCCCC(CS)C(=O)[O-].CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.[O-2]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC(C(=O)[O-])CS.CCCCCCCC/C=C/CCCCCCCCC(C(=O)[O-])CS.CCCCCCCC/C=C/CCCCCCCCC(C(=O)[O-])CS.CCCCCCCC/C=C/CCCCCCCCC(C(=O)[O-])CS.CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.[O-2]

InChI

InChI=1S/4C21H40O2S.4C4H9.O.2Sn/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(19-24)21(22)23;4*1-3-4-2;;;/h4*9-10,20,24H,2-8,11-19H2,1H3,(H,22,23);4*1,3-4H2,2H3;;;/q;;;;;;;;-2;2*+2/p-4/b4*10-9+;;;;;;;