sodium [(2-methylphenyl)amino]methanesulfonate hydrate

Systemtic Name: sodium [(2-methylphenyl)amino]methanesulfonate hydrate Openeye Name: sodium (2-methylanilino)methanesulfonate hydrate CAS Name: sodium (2-methylanilino)methanesulfonate hydrate IUPAC Name: sodium (2-methylanilino)methanesulfonate hydrate Traditional Name: sodium o-toluidinomethanesulfonate hydrate Formula: C8H12NNaO4S MolecularWeight: 241.23995

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NCS(=O)(=O)[O-].O.[Na+]

Isomeric SMILES

CC1=CC=CC=C1NCS(=O)(=O)[O-].O.[Na+]

InChI

InChI=1S/C8H11NO3S.Na.H2O/c1-7-4-2-3-5-8(7)9-6-13(10,11)12;;/h2-5,9H,6H2,1H3,(H,10,11,12);;1H2/q;+1;/p-1