butyltin(3+); (E)-2-(1-sulfanylethyl)octadec-9-enoate

Systemtic Name: butyltin(3+); (E)-2-(1-sulfanylethyl)octadec-9-enoate Openeye Name: butyltin(3+); (E)-2-(1-sulfanylethyl)octadec-9-enoate CAS Name: butyltin(3+); (E)-2-(1-mercaptoethyl)-9-octadecenoate IUPAC Name: butyltin(3+); (E)-2-(1-sulfanylethyl)octadec-9-enoate Traditional Name: butyltin(3+); (E)-2-(1-mercaptoethyl)octadec-9-enoate Formula: C64H120O6S3Sn MolecularWeight: 1200.539

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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