azanium 8-methyl-1-(2-methylphenyl)nonane-1-sulfonate

Systemtic Name: azanium 8-methyl-1-(2-methylphenyl)nonane-1-sulfonate Openeye Name: ammonium 8-methyl-1-(o-tolyl)nonane-1-sulfonate CAS Name: ammonium 8-methyl-1-(2-methylphenyl)-1-nonanesulfonate IUPAC Name: azanium 8-methyl-1-(2-methylphenyl)nonane-1-sulfonate Traditional Name: ammonium 8-methyl-1-(o-tolyl)nonane-1-sulfonate Formula: C17H31NO3S MolecularWeight: 329.49794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28O3S.H3N/c1-14(2)10-6-4-5-7-13-17(21(18,19)20)16-12-9-8-11-15(16)3;/h8-9,11-12,14,17H,4-7,10,13H2,1-3H3,(H,18,19,20);1H3