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

Systemtic Name: sodium 1-[ethyl-(3-methylphenyl)amino]propane-1-sulfonic acid Openeye Name: sodium 1-(N-ethyl-3-methyl-anilino)propane-1-sulfonic acid CAS Name: sodium 1-(N-ethyl-3-methylanilino)-1-propanesulfonic acid IUPAC Name: sodium 1-(N-ethyl-3-methylanilino)propane-1-sulfonic acid Traditional Name: sodium 1-(N-ethyl-3-methyl-anilino)propane-1-sulfonic acid Formula: C12H19NNaO3S+ MolecularWeight: 280.33893

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N(CC)C1=CC=CC(=C1)C)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCC(N(CC)C1=CC=CC(=C1)C)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C12H19NO3S.Na/c1-4-12(17(14,15)16)13(5-2)11-8-6-7-10(3)9-11;/h6-9,12H,4-5H2,1-3H3,(H,14,15,16);/q;+1