sodium 3-[(2-methylphenyl)amino]propane-1-sulfonate

Systemtic Name: sodium 3-[(2-methylphenyl)amino]propane-1-sulfonate Openeye Name: sodium 3-(2-methylanilino)propane-1-sulfonate CAS Name: sodium 3-(2-methylanilino)-1-propanesulfonate IUPAC Name: sodium 3-(2-methylanilino)propane-1-sulfonate Traditional Name: sodium 3-(o-toluidino)propane-1-sulfonate Formula: C10H14NNaO3S MolecularWeight: 251.27783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=CC=C1NCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H15NO3S.Na/c1-9-5-2-3-6-10(9)11-7-4-8-15(12,13)14;/h2-3,5-6,11H,4,7-8H2,1H3,(H,12,13,14);/q;+1/p-1