sodium 3-[(2,6-dimethylphenyl)amino]-2-oxidanyl-propane-1-sulfonate

Systemtic Name: sodium 3-[(2,6-dimethylphenyl)amino]-2-oxidanyl-propane-1-sulfonate Openeye Name: sodium 3-(2,6-dimethylanilino)-2-hydroxy-propane-1-sulfonate CAS Name: sodium 3-(2,6-dimethylanilino)-2-hydroxy-1-propanesulfonate IUPAC Name: sodium 3-(2,6-dimethylanilino)-2-hydroxypropane-1-sulfonate Traditional Name: sodium 3-(2,6-dimethylanilino)-2-hydroxy-propane-1-sulfonate Formula: C11H16NNaO4S MolecularWeight: 281.30381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NCC(CS(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NCC(CS(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C11H17NO4S.Na/c1-8-4-3-5-9(2)11(8)12-6-10(13)7-17(14,15)16;/h3-5,10,12-13H,6-7H2,1-2H3,(H,14,15,16);/q;+1/p-1