2,2-bis(oxidanyl)indene-1,3-dione; 2,3,4-trinitrobenzenesulfonic acid

Systemtic Name: 2,2-bis(oxidanyl)indene-1,3-dione; 2,3,4-trinitrobenzenesulfonic acid Openeye Name: 2,2-dihydroxyindane-1,3-dione; 2,3,4-trinitrobenzenesulfonic acid CAS Name: 2,2-dihydroxyindene-1,3-dione; 2,3,4-trinitrobenzenesulfonic acid IUPAC Name: 2,2-dihydroxyindene-1,3-dione; 2,3,4-trinitrobenzenesulfonic acid Traditional Name: ninhydrin; 2,3,4-trinitrobesylic acid Formula: C15H9N3O13S MolecularWeight: 471.30926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(C2=O)(O)O.C1=CC(=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(C2=O)(O)O.C1=CC(=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C9H6O4.C6H3N3O9S/c10-7-5-3-1-2-4-6(5)8(11)9(7,12)13;10-7(11)3-1-2-4(19(16,17)18)6(9(14)15)5(3)8(12)13/h1-4,12-13H;1-2H,(H,16,17,18)