octyltin(3+); 2-sulfanylicosanoate

Systemtic Name: octyltin(3+); 2-sulfanylicosanoate Openeye Name: octyltin(3+); 2-sulfanylicosanoate CAS Name: 2-mercaptoeicosanoate; octyltin(3+) IUPAC Name: octyltin(3+); 2-sulfanylicosanoate Traditional Name: 2-mercaptoarachidate; octyltin(3+) Formula: C68H134O6S3Sn MolecularWeight: 1262.69296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C20H40O2S.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(23)20(21)22;1-3-5-7-8-6-4-2;/h3*19,23H,2-18H2,1H3,(H,21,22);1,3-8H2,2H3;/q;;;;+3/p-3