2-methyl-5-nitro-8-oxidanyl-quinoline-7-sulfonic acid

Systemtic Name: 2-methyl-5-nitro-8-oxidanyl-quinoline-7-sulfonic acid Openeye Name: 8-hydroxy-2-methyl-5-nitro-quinoline-7-sulfonic acid CAS Name: 8-hydroxy-2-methyl-5-nitro-7-quinolinesulfonic acid IUPAC Name: 8-hydroxy-2-methyl-5-nitroquinoline-7-sulfonic acid Traditional Name: 8-hydroxy-2-methyl-5-nitro-quinoline-7-sulfonic acid Formula: C10H8N2O6S MolecularWeight: 284.24532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC(=C2O)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC(=C2O)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H8N2O6S/c1-5-2-3-6-7(12(14)15)4-8(19(16,17)18)10(13)9(6)11-5/h2-4,13H,1H3,(H,16,17,18)