sodium; 3-(2-methylnonan-2-ylsulfanyl)propane-1-sulfonate; 3-sulfanylpropane-1-sulfonate; tin(4+)

Systemtic Name: sodium; 3-(2-methylnonan-2-ylsulfanyl)propane-1-sulfonate; 3-sulfanylpropane-1-sulfonate; tin(4+) Openeye Name: sodium; stannic; 3-(1,1-dimethyloctylsulfanyl)propane-1-sulfonate; 3-sulfanylpropane-1-sulfonate CAS Name: sodium; 3-mercapto-1-propanesulfonate; 3-(2-methylnonan-2-ylthio)-1-propanesulfonate; tin(4+) IUPAC Name: sodium; 3-(2-methylnonan-2-ylsulfanyl)propane-1-sulfonate; 3-sulfanylpropane-1-sulfonate; tin(4+) Traditional Name: sodium; stannic; 3-(1,1-dimethyloctylthio)propane-1-sulfonate; 3-mercaptopropane-1-sulfonate Formula: C22H48NaO12S8Sn+ MolecularWeight: 902.82909

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C)(C)SCCCS(=O)(=O)[O-].C(CS)CS(=O)(=O)[O-].C(CS)CS(=O)(=O)[O-].C(CS)CS(=O)(=O)[O-].[Na+].[Sn+4]

Isomeric SMILES

CCCCCCCC(C)(C)SCCCS(=O)(=O)[O-].C(CS)CS(=O)(=O)[O-].C(CS)CS(=O)(=O)[O-].C(CS)CS(=O)(=O)[O-].[Na+].[Sn+4]

InChI

InChI=1S/C13H28O3S2.3C3H8O3S2.Na.Sn/c1-4-5-6-7-8-10-13(2,3)17-11-9-12-18(14,15)16;3*4-8(5,6)3-1-2-7;;/h4-12H2,1-3H3,(H,14,15,16);3*7H,1-3H2,(H,4,5,6);;/q;;;;+1;+4/p-4