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octyltin(3+); 2-sulfanyloctadecanoate

Systemtic Name:	octyltin(3+); 2-sulfanyloctadecanoate
Openeye Name:	octyltin(3+); 2-sulfanyloctadecanoate
CAS Name:	2-mercaptooctadecanoate; octyltin(3+)
IUPAC Name:	octyltin(3+); 2-sulfanyloctadecanoate
Traditional Name:	2-mercaptostearate; octyltin(3+)
Formula:	C₆₂H₁₂₂O₆S₃Sn
MolecularWeight:	1178.53348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C18H36O2S.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(21)18(19)20;1-3-5-7-8-6-4-2;/h3*17,21H,2-16H2,1H3,(H,19,20);1,3-8H2,2H3;/q;;;;+3/p-3

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