sodium [(4-butoxyphenyl)amino]methanesulfonic acid

Systemtic Name: sodium [(4-butoxyphenyl)amino]methanesulfonic acid Openeye Name: sodium (4-butoxyanilino)methanesulfonic acid CAS Name: sodium (4-butoxyanilino)methanesulfonic acid IUPAC Name: sodium (4-butoxyanilino)methanesulfonic acid Traditional Name: sodium (4-butoxyanilino)methanesulfonic acid Formula: C11H17NNaO4S+ MolecularWeight: 282.31175

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NCS(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NCS(=O)(=O)O.[Na+]

InChI

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