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

Systemtic Name: sodium 3-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanyl-propane-1-sulfonate Openeye Name: sodium 2-hydroxy-3-(2-methoxy-5-methyl-anilino)propane-1-sulfonate CAS Name: sodium 2-hydroxy-3-(2-methoxy-5-methylanilino)-1-propanesulfonate IUPAC Name: sodium 2-hydroxy-3-(2-methoxy-5-methylanilino)propane-1-sulfonate Traditional Name: sodium 2-hydroxy-3-(2-methoxy-5-methyl-anilino)propane-1-sulfonate Formula: C11H16NNaO5S MolecularWeight: 297.30321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17NO5S.Na/c1-8-3-4-11(17-2)10(5-8)12-6-9(13)7-18(14,15)16;/h3-5,9,12-13H,6-7H2,1-2H3,(H,14,15,16);/q;+1/p-1