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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO3S.Na/c1-3-13(8-5-9-17(14,15)16)12-7-4-6-11(2)10-12;/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,14,15,16);/q;+1