methyltin(3+); (E)-2-[1,1,2-tris(sulfanyl)ethyl]octadec-9-enoate

Systemtic Name: methyltin(3+); (E)-2-[1,1,2-tris(sulfanyl)ethyl]octadec-9-enoate Openeye Name: methyltin(3+); (E)-2-[1,1,2-tris(sulfanyl)ethyl]octadec-9-enoate CAS Name: methyltin(3+); (E)-2-(1,1,2-trimercaptoethyl)-9-octadecenoate IUPAC Name: methyltin(3+); (E)-2-[1,1,2-tris(sulfanyl)ethyl]octadec-9-enoate Traditional Name: methyltin(3+); (E)-2-(1,1,2-trimercaptoethyl)octadec-9-enoate Formula: C61H114O6S9Sn MolecularWeight: 1350.84926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C20H38O2S3.CH3.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19(21)22)20(24,25)17-23;;/h3*9-10,18,23-25H,2-8,11-17H2,1H3,(H,21,22);1H3;/q;;;;+3/p-3/b3*10-9+;;