hexasodium decane-1-sulfonate

Systemtic Name: hexasodium decane-1-sulfonate Openeye Name: hexasodium decane-1-sulfonate CAS Name: hexasodium 1-decanesulfonate IUPAC Name: hexasodium decane-1-sulfonate Traditional Name: hexasodium decane-1-sulfonate Formula: C60H126Na6O18S6 MolecularWeight: 1465.96026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/6C10H22O3S.6Na/c6*1-2-3-4-5-6-7-8-9-10-14(11,12)13;;;;;;/h6*2-10H2,1H3,(H,11,12,13);;;;;;/q;;;;;;6*+1/p-6