sodium 2-[(Z)-[butan-2-yl(oxidanidyl)azaniumylidene]methyl]benzenesulfonate

Systemtic Name: sodium 2-[(Z)-[butan-2-yl(oxidanidyl)azaniumylidene]methyl]benzenesulfonate Openeye Name: sodium 2-[(Z)-[oxido(sec-butyl)iminio]methyl]benzenesulfonate CAS Name: sodium 2-[(Z)-[butan-2-yl(oxido)iminio]methyl]benzenesulfonate IUPAC Name: sodium 2-[(Z)-[butan-2-yl(oxido)azaniumylidene]methyl]benzenesulfonate Traditional Name: sodium 2-[(Z)-[oxido(sec-butyl)iminio]methyl]besylate Formula: C11H14NNaO4S MolecularWeight: 279.28793

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[N+](=CC1=CC=CC=C1S(=O)(=O)[O-])[O-].[Na+]

Isomeric SMILES

CCC(C)/[N+](=C/C1=CC=CC=C1S(=O)(=O)[O-])/[O-].[Na+]

InChI

InChI=1S/C11H15NO4S.Na/c1-3-9(2)12(13)8-10-6-4-5-7-11(10)17(14,15)16;/h4-9H,3H2,1-2H3,(H,14,15,16);/q;+1/p-1/b12-8-;