sodium [(4-butoxyphenyl)amino]methanesulfinic acid

Systemtic Name: sodium [(4-butoxyphenyl)amino]methanesulfinic acid Openeye Name: sodium (4-butoxyanilino)methanesulfinic acid CAS Name: sodium (4-butoxyanilino)methanesulfinic acid IUPAC Name: sodium (4-butoxyanilino)methanesulfinic acid Traditional Name: sodium (4-butoxyanilino)methanesulfinic acid Formula: C11H17NNaO3S+ MolecularWeight: 266.31235

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17NO3S.Na/c1-2-3-8-15-11-6-4-10(5-7-11)12-9-16(13)14;/h4-7,12H,2-3,8-9H2,1H3,(H,13,14);/q;+1