2-methyl-5-nitro-benzenediazonium; 5-sulfonaphthalene-1-sulfonate

Systemtic Name: 2-methyl-5-nitro-benzenediazonium; 5-sulfonaphthalene-1-sulfonate Openeye Name: 2-methyl-5-nitro-benzenediazonium; 5-sulfonaphthalene-1-sulfonate CAS Name: 2-methyl-5-nitrobenzenediazonium; 5-sulfo-1-naphthalenesulfonate IUPAC Name: 2-methyl-5-nitrobenzenediazonium; 5-sulfonaphthalene-1-sulfonate Traditional Name: 2-methyl-5-nitro-benzenediazonium; 5-sulfonaphthalene-1-sulfonate Formula: C17H13N3O8S2 MolecularWeight: 451.43042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])[N+]#N.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])[N+]#N.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)O

InChI

InChI=1S/C10H8O6S2.C7H6N3O2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;1-5-2-3-6(10(11)12)4-7(5)9-8/h1-6H,(H,11,12,13)(H,14,15,16);2-4H,1H3/q;+1/p-1