2-methyl-5-nitro-8-oxidanylidene-1,3,4,7-tetrahydro-2,7-phenanthroline-9-sulfonic acid

Systemtic Name: 2-methyl-5-nitro-8-oxidanylidene-1,3,4,7-tetrahydro-2,7-phenanthroline-9-sulfonic acid Openeye Name: 2-methyl-5-nitro-8-oxo-1,3,4,7-tetrahydro-2,7-phenanthroline-9-sulfonic acid CAS Name: 2-methyl-5-nitro-8-oxo-1,3,4,7-tetrahydro-2,7-phenanthroline-9-sulfonic acid IUPAC Name: 2-methyl-5-nitro-8-oxo-1,3,4,7-tetrahydro-2,7-phenanthroline-9-sulfonic acid Traditional Name: 8-keto-2-methyl-5-nitro-1,3,4,7-tetrahydro-2,7-phenanthroline-9-sulfonic acid Formula: C13H13N3O6S MolecularWeight: 339.32382

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C=C3C(=C2C1)C=C(C(=O)N3)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN1CCC2=C(C=C3C(=C2C1)C=C(C(=O)N3)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O6S/c1-15-3-2-7-9(6-15)8-4-12(23(20,21)22)13(17)14-10(8)5-11(7)16(18)19/h4-5H,2-3,6H2,1H3,(H,14,17)(H,20,21,22)