4-(2-carboxyethylcarbamoyl)benzenediazonium; 4-methylbenzenesulfonate

Systemtic Name: 4-(2-carboxyethylcarbamoyl)benzenediazonium; 4-methylbenzenesulfonate Openeye Name: 4-(2-carboxyethylcarbamoyl)benzenediazonium; 4-methylbenzenesulfonate CAS Name: 4-[(2-carboxyethylamino)-oxomethyl]benzenediazonium; 4-methylbenzenesulfonate IUPAC Name: 4-(2-carboxyethylcarbamoyl)benzenediazonium; 4-methylbenzenesulfonate Traditional Name: 4-(2-carboxyethylcarbamoyl)benzenediazonium tosylate Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC(=CC=C1C(=O)NCCC(=O)O)[N+]#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC(=CC=C1C(=O)NCCC(=O)O)[N+]#N

InChI

InChI=1S/C10H9N3O3.C7H8O3S/c11-13-8-3-1-7(2-4-8)10(16)12-6-5-9(14)15;1-6-2-4-7(5-3-6)11(8,9)10/h1-4H,5-6H2,(H-,12,14,15,16);2-5H,1H3,(H,8,9,10)