2-methyl-1H-imidazol-3-ium; 2-[(E)-oxidanidyliminomethyl]benzenesulfonic acid

Systemtic Name: 2-methyl-1H-imidazol-3-ium; 2-[(E)-oxidanidyliminomethyl]benzenesulfonic acid Openeye Name: 2-methyl-1H-imidazol-3-ium; 2-[(E)-oxidoiminomethyl]benzenesulfonic acid CAS Name: 2-methyl-1H-imidazol-3-ium; 2-[(E)-oxidoiminomethyl]benzenesulfonic acid IUPAC Name: 2-methyl-1H-imidazol-3-ium; 2-[(E)-oxidoiminomethyl]benzenesulfonic acid Traditional Name: 2-methyl-1H-imidazol-3-ium; 2-[(E)-oxidoiminomethyl]besylic acid Formula: C11H13N3O4S MolecularWeight: 283.30362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=CN1.C1=CC=C(C(=C1)C=N[O-])S(=O)(=O)O

Isomeric SMILES

CC1=[NH+]C=CN1.C1=CC=C(C(=C1)/C=N/[O-])S(=O)(=O)O

InChI

InChI=1S/C7H7NO4S.C4H6N2/c9-8-5-6-3-1-2-4-7(6)13(10,11)12;1-4-5-2-3-6-4/h1-5,9H,(H,10,11,12);2-3H,1H3,(H,5,6)/b8-5+;