sodium 3-[(3,5-dimethoxy-2-methyl-phenyl)amino]propane-1-sulfonate

Systemtic Name: sodium 3-[(3,5-dimethoxy-2-methyl-phenyl)amino]propane-1-sulfonate Openeye Name: sodium 3-(3,5-dimethoxy-2-methyl-anilino)propane-1-sulfonate CAS Name: sodium 3-(3,5-dimethoxy-2-methylanilino)-1-propanesulfonate IUPAC Name: sodium 3-(3,5-dimethoxy-2-methylanilino)propane-1-sulfonate Traditional Name: sodium 3-(3,5-dimethoxy-2-methyl-anilino)propane-1-sulfonate Formula: C12H18NNaO5S MolecularWeight: 311.32979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO5S.Na/c1-9-11(13-5-4-6-19(14,15)16)7-10(17-2)8-12(9)18-3;/h7-8,13H,4-6H2,1-3H3,(H,14,15,16);/q;+1/p-1