sodium 1-(2-methylphenyl)pentadecane-1-sulfonate

Systemtic Name: sodium 1-(2-methylphenyl)pentadecane-1-sulfonate Openeye Name: sodium 1-(o-tolyl)pentadecane-1-sulfonate CAS Name: sodium 1-(2-methylphenyl)-1-pentadecanesulfonate IUPAC Name: sodium 1-(2-methylphenyl)pentadecane-1-sulfonate Traditional Name: sodium 1-(o-tolyl)pentadecane-1-sulfonate Formula: C22H37NaO3S MolecularWeight: 404.58215

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C1=CC=CC=C1C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCC(C1=CC=CC=C1C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C22H38O3S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-22(26(23,24)25)21-18-16-15-17-20(21)2;/h15-18,22H,3-14,19H2,1-2H3,(H,23,24,25);/q;+1/p-1