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

Systemtic Name: sodium 3-[ethyl-(3-methylphenyl)amino]-2-oxidanyl-propane-1-sulfonate dihydrate Openeye Name: sodium 3-(N-ethyl-3-methyl-anilino)-2-hydroxy-propane-1-sulfonate dihydrate CAS Name: sodium 3-(N-ethyl-3-methylanilino)-2-hydroxy-1-propanesulfonate dihydrate IUPAC Name: sodium 3-(N-ethyl-3-methylanilino)-2-hydroxypropane-1-sulfonate dihydrate Traditional Name: sodium 3-(N-ethyl-3-methyl-anilino)-2-hydroxy-propane-1-sulfonate dihydrate Formula: C12H22NNaO6S MolecularWeight: 331.36095

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO4S.Na.2H2O/c1-3-13(8-12(14)9-18(15,16)17)11-6-4-5-10(2)7-11;;;/h4-7,12,14H,3,8-9H2,1-2H3,(H,15,16,17);;2*1H2/q;+1;;/p-1