4-methylbenzenesulfonate; 4-nitrobenzenediazonium

Systemtic Name: 4-methylbenzenesulfonate; 4-nitrobenzenediazonium Openeye Name: 4-methylbenzenesulfonate; 4-nitrobenzenediazonium CAS Name: 4-methylbenzenesulfonate; 4-nitrobenzenediazonium IUPAC Name: 4-methylbenzenesulfonate; 4-nitrobenzenediazonium Traditional Name: 4-nitrobenzenediazonium tosylate Formula: C13H11N3O5S MolecularWeight: 321.30854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C6H4N3O2/c1-6-2-4-7(5-3-6)11(8,9)10;7-8-5-1-3-6(4-2-5)9(10)11/h2-5H,1H3,(H,8,9,10);1-4H/q;+1/p-1