sodium 3-[dodecyl-(3-methylphenyl)amino]propane-1-sulfonate

Systemtic Name: sodium 3-[dodecyl-(3-methylphenyl)amino]propane-1-sulfonate Openeye Name: sodium 3-(N-dodecyl-3-methyl-anilino)propane-1-sulfonate CAS Name: sodium 3-(N-dodecyl-3-methylanilino)-1-propanesulfonate IUPAC Name: sodium 3-(N-dodecyl-3-methylanilino)propane-1-sulfonate Traditional Name: sodium 3-(N-lauryl-3-methyl-anilino)propane-1-sulfonate Formula: C22H38NNaO3S MolecularWeight: 419.59679

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CCCS(=O)(=O)[O-])C1=CC=CC(=C1)C.[Na+]

Isomeric SMILES

CCCCCCCCCCCCN(CCCS(=O)(=O)[O-])C1=CC=CC(=C1)C.[Na+]

InChI

InChI=1S/C22H39NO3S.Na/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);/q;+1/p-1