azanium 1-(2-methylphenyl)hexadecane-1-sulfonate

Systemtic Name: azanium 1-(2-methylphenyl)hexadecane-1-sulfonate Openeye Name: ammonium 1-(o-tolyl)hexadecane-1-sulfonate CAS Name: ammonium 1-(2-methylphenyl)-1-hexadecanesulfonate IUPAC Name: azanium 1-(2-methylphenyl)hexadecane-1-sulfonate Traditional Name: ammonium 1-(o-tolyl)hexadecane-1-sulfonate Formula: C23H43NO3S MolecularWeight: 413.65742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C1=CC=CC=C1C)S(=O)(=O)[O-].[NH4+]

Isomeric SMILES

CCCCCCCCCCCCCCCC(C1=CC=CC=C1C)S(=O)(=O)[O-].[NH4+]

InChI

InChI=1S/C23H40O3S.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-23(27(24,25)26)22-19-17-16-18-21(22)2;/h16-19,23H,3-15,20H2,1-2H3,(H,24,25,26);1H3