octyltin(3+); 2-sulfanylhexadecanoate

Systemtic Name: octyltin(3+); 2-sulfanylhexadecanoate Openeye Name: octyltin(3+); 2-sulfanylhexadecanoate CAS Name: 2-mercaptohexadecanoate; octyltin(3+) IUPAC Name: octyltin(3+); 2-sulfanylhexadecanoate Traditional Name: 2-mercaptopalmitate; octyltin(3+) Formula: C56H110O6S3Sn MolecularWeight: 1094.374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C16H32O2S.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(19)16(17)18;1-3-5-7-8-6-4-2;/h3*15,19H,2-14H2,1H3,(H,17,18);1,3-8H2,2H3;/q;;;;+3/p-3