sodium [(2-methoxyphenyl)amino]methanesulfonate dihydrate

Systemtic Name: sodium [(2-methoxyphenyl)amino]methanesulfonate dihydrate Openeye Name: sodium (2-methoxyanilino)methanesulfonate dihydrate CAS Name: sodium (2-methoxyanilino)methanesulfonate dihydrate IUPAC Name: sodium (2-methoxyanilino)methanesulfonate dihydrate Traditional Name: sodium o-anisidinomethanesulfonate dihydrate Formula: C8H14NNaO6S MolecularWeight: 275.25463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NCS(=O)(=O)[O-].O.O.[Na+]

Isomeric SMILES

COC1=CC=CC=C1NCS(=O)(=O)[O-].O.O.[Na+]

InChI

InChI=1S/C8H11NO4S.Na.2H2O/c1-13-8-5-3-2-4-7(8)9-6-14(10,11)12;;;/h2-5,9H,6H2,1H3,(H,10,11,12);;2*1H2/q;+1;;/p-1