5,7-dinitro-8-oxidanyl-naphthalene-2-sulfonic acid hydrate

Systemtic Name: 5,7-dinitro-8-oxidanyl-naphthalene-2-sulfonic acid hydrate Openeye Name: 8-hydroxy-5,7-dinitro-naphthalene-2-sulfonic acid hydrate CAS Name: 8-hydroxy-5,7-dinitro-2-naphthalenesulfonic acid hydrate IUPAC Name: 8-hydroxy-5,7-dinitronaphthalene-2-sulfonic acid hydrate Traditional Name: 8-hydroxy-5,7-dinitro-naphthalene-2-sulfonic acid hydrate Formula: C10H8N2O9S MolecularWeight: 332.24352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])O.O

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])O.O

InChI

InChI=1S/C10H6N2O8S.H2O/c13-10-7-3-5(21(18,19)20)1-2-6(7)8(11(14)15)4-9(10)12(16)17;/h1-4,13H,(H,18,19,20);1H2