4-nitro-7-azabicyclo[3.2.1]octa-1(8),2,4-trien-6-one; 4-oxidanylnaphthalene-2-sulfonic acid

Systemtic Name: 4-nitro-7-azabicyclo[3.2.1]octa-1(8),2,4-trien-6-one; 4-oxidanylnaphthalene-2-sulfonic acid Openeye Name: 4-hydroxynaphthalene-2-sulfonic acid; 4-nitro-7-azabicyclo[3.2.1]octa-1(8),2,4-trien-6-one CAS Name: 4-hydroxy-2-naphthalenesulfonic acid; 4-nitro-7-azabicyclo[3.2.1]octa-1(8),2,4-trien-6-one IUPAC Name: 4-hydroxynaphthalene-2-sulfonic acid; 4-nitro-7-azabicyclo[3.2.1]octa-1(8),2,4-trien-6-one Traditional Name: 4-hydroxynaphthalene-2-sulfonic acid; 4-nitro-7-azabicyclo[3.2.1]octa-1(8),2,4-trien-6-one Formula: C17H12N2O7S MolecularWeight: 388.35138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=C2O)S(=O)(=O)O.C1=CC(=C2C=C1NC2=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=C2O)S(=O)(=O)O.C1=CC(=C2C=C1NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C10H8O4S.C7H4N2O3/c11-10-6-8(15(12,13)14)5-7-3-1-2-4-9(7)10;10-7-5-3-4(8-7)1-2-6(5)9(11)12/h1-6,11H,(H,12,13,14);1-3H,(H,8,10)