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

Systemtic Name: sodium 3-[(2-methoxy-5-methyl-phenyl)amino]propane-1-sulfonate Openeye Name: sodium 3-(2-methoxy-5-methyl-anilino)propane-1-sulfonate CAS Name: sodium 3-(2-methoxy-5-methylanilino)-1-propanesulfonate IUPAC Name: sodium 3-(2-methoxy-5-methylanilino)propane-1-sulfonate Traditional Name: sodium 3-(2-methoxy-5-methyl-anilino)propane-1-sulfonate Formula: C11H16NNaO4S MolecularWeight: 281.30381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C11H17NO4S.Na/c1-9-4-5-11(16-2)10(8-9)12-6-3-7-17(13,14)15;/h4-5,8,12H,3,6-7H2,1-2H3,(H,13,14,15);/q;+1/p-1