azanium 8-methyl-1-(4-methylphenyl)nonane-1-sulfonate

Systemtic Name: azanium 8-methyl-1-(4-methylphenyl)nonane-1-sulfonate Openeye Name: ammonium 8-methyl-1-(p-tolyl)nonane-1-sulfonate CAS Name: ammonium 8-methyl-1-(4-methylphenyl)-1-nonanesulfonate IUPAC Name: azanium 8-methyl-1-(4-methylphenyl)nonane-1-sulfonate Traditional Name: ammonium 8-methyl-1-(p-tolyl)nonane-1-sulfonate Formula: C17H31NO3S MolecularWeight: 329.49794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CCCCCCC(C)C)S(=O)(=O)[O-].[NH4+]

Isomeric SMILES

CC1=CC=C(C=C1)C(CCCCCCC(C)C)S(=O)(=O)[O-].[NH4+]

InChI

InChI=1S/C17H28O3S.H3N/c1-14(2)8-6-4-5-7-9-17(21(18,19)20)16-12-10-15(3)11-13-16;/h10-14,17H,4-9H2,1-3H3,(H,18,19,20);1H3