azanium 17-methyl-1-(2-methylphenyl)octadecane-1-sulfonate

Systemtic Name: azanium 17-methyl-1-(2-methylphenyl)octadecane-1-sulfonate Openeye Name: ammonium 17-methyl-1-(o-tolyl)octadecane-1-sulfonate CAS Name: ammonium 17-methyl-1-(2-methylphenyl)-1-octadecanesulfonate IUPAC Name: azanium 17-methyl-1-(2-methylphenyl)octadecane-1-sulfonate Traditional Name: ammonium 17-methyl-1-(o-tolyl)octadecane-1-sulfonate Formula: C26H49NO3S MolecularWeight: 455.73716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCCCCCCCCCCCCCCC(C)C)S(=O)(=O)[O-].[NH4+]

Isomeric SMILES

CC1=CC=CC=C1C(CCCCCCCCCCCCCCCC(C)C)S(=O)(=O)[O-].[NH4+]

InChI

InChI=1S/C26H46O3S.H3N/c1-23(2)19-15-13-11-9-7-5-4-6-8-10-12-14-16-22-26(30(27,28)29)25-21-18-17-20-24(25)3;/h17-18,20-21,23,26H,4-16,19,22H2,1-3H3,(H,27,28,29);1H3