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

Systemtic Name: 3-oxidanylidenebutyltin(3+); (E)-2-(2-sulfanylethyl)octadec-9-enoate Openeye Name: 3-oxobutyltin(3+); (E)-2-(2-sulfanylethyl)octadec-9-enoate CAS Name: (E)-2-(2-mercaptoethyl)-9-octadecenoate; 3-oxobutyltin(3+) IUPAC Name: 3-oxobutyltin(3+); (E)-2-(2-sulfanylethyl)octadec-9-enoate Traditional Name: 3-ketobutyltin(3+); (E)-2-(2-mercaptoethyl)octadec-9-enoate Formula: C44H81O5S2Sn+ MolecularWeight: 872.95094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C20H38O2S.C4H7O.Sn/c2*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)5;/h2*9-10,19,23H,2-8,11-18H2,1H3,(H,21,22);1,3H2,2H3;/q;;;+3/p-2/b2*10-9+;;