pentasodium decane-1-sulfonate

Systemtic Name: pentasodium decane-1-sulfonate Openeye Name: pentasodium decane-1-sulfonate CAS Name: pentasodium 1-decanesulfonate IUPAC Name: pentasodium decane-1-sulfonate Traditional Name: pentasodium decane-1-sulfonate Formula: C50H105Na5O15S5 MolecularWeight: 1221.63355

Click to see the large picture

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-].[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-].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/5C10H22O3S.5Na/c5*1-2-3-4-5-6-7-8-9-10-14(11,12)13;;;;;/h5*2-10H2,1H3,(H,11,12,13);;;;;/q;;;;;5*+1/p-5