4-methylbenzenesulfonate; 4-nitro-2-oxidanyl-benzenediazonium

Systemtic Name: 4-methylbenzenesulfonate; 4-nitro-2-oxidanyl-benzenediazonium Openeye Name: 2-hydroxy-4-nitro-benzenediazonium; 4-methylbenzenesulfonate CAS Name: 2-hydroxy-4-nitrobenzenediazonium; 4-methylbenzenesulfonate IUPAC Name: 2-hydroxy-4-nitrobenzenediazonium; 4-methylbenzenesulfonate Traditional Name: 2-hydroxy-4-nitro-benzenediazonium tosylate Formula: C13H11N3O6S MolecularWeight: 337.30794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C6H3N3O3/c1-6-2-4-7(5-3-6)11(8,9)10;7-8-5-2-1-4(9(11)12)3-6(5)10/h2-5H,1H3,(H,8,9,10);1-3H