sodium 1-(4-methylphenyl)tetradecane-1-sulfonate

Systemtic Name: sodium 1-(4-methylphenyl)tetradecane-1-sulfonate Openeye Name: sodium 1-(p-tolyl)tetradecane-1-sulfonate CAS Name: sodium 1-(4-methylphenyl)-1-tetradecanesulfonate IUPAC Name: sodium 1-(4-methylphenyl)tetradecane-1-sulfonate Traditional Name: sodium 1-(p-tolyl)tetradecane-1-sulfonate Formula: C21H35NaO3S MolecularWeight: 390.55557

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C1=CC=C(C=C1)C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCC(C1=CC=C(C=C1)C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H36O3S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-21(25(22,23)24)20-17-15-19(2)16-18-20;/h15-18,21H,3-14H2,1-2H3,(H,22,23,24);/q;+1/p-1