3-[dodecyl-(3-methylphenyl)amino]propane-1-sulfonic acid

Systemtic Name: 3-[dodecyl-(3-methylphenyl)amino]propane-1-sulfonic acid Openeye Name: 3-(N-dodecyl-3-methyl-anilino)propane-1-sulfonic acid CAS Name: 3-(N-dodecyl-3-methylanilino)-1-propanesulfonic acid IUPAC Name: 3-(N-dodecyl-3-methylanilino)propane-1-sulfonic acid Traditional Name: 3-(N-lauryl-3-methyl-anilino)propane-1-sulfonic acid Formula: C22H39NO3S MolecularWeight: 397.61496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CCCS(=O)(=O)O)C1=CC=CC(=C1)C

Isomeric SMILES

CCCCCCCCCCCCN(CCCS(=O)(=O)O)C1=CC=CC(=C1)C

InChI

InChI=1S/C22H39NO3S/c1-3-4-5-6-7-8-9-10-11-12-17-23(18-14-19-27(24,25)26)22-16-13-15-21(2)20-22/h13,15-16,20H,3-12,14,17-19H2,1-2H3,(H,24,25,26)