sodium 4-(2-oxidanylbut-3-enylamino)benzenesulfonate

Systemtic Name: sodium 4-(2-oxidanylbut-3-enylamino)benzenesulfonate Openeye Name: sodium 4-(2-hydroxybut-3-enylamino)benzenesulfonate CAS Name: sodium 4-(2-hydroxybut-3-enylamino)benzenesulfonate IUPAC Name: sodium 4-(2-hydroxybut-3-enylamino)benzenesulfonate Traditional Name: sodium 4-(2-hydroxybut-3-enylamino)besylate Formula: C10H12NNaO4S MolecularWeight: 265.26135

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(CNC1=CC=C(C=C1)S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

C=CC(CNC1=CC=C(C=C1)S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C10H13NO4S.Na/c1-2-9(12)7-11-8-3-5-10(6-4-8)16(13,14)15;/h2-6,9,11-12H,1,7H2,(H,13,14,15);/q;+1/p-1