disodium 5,7-dinitro-8-oxidanyl-naphthalene-2-sulfonate

Systemtic Name: disodium 5,7-dinitro-8-oxidanyl-naphthalene-2-sulfonate Openeye Name: disodium 8-hydroxy-5,7-dinitro-naphthalene-2-sulfonate CAS Name: disodium 8-hydroxy-5,7-dinitro-2-naphthalenesulfonate IUPAC Name: disodium 8-hydroxy-5,7-dinitronaphthalene-2-sulfonate Traditional Name: disodium 8-hydroxy-5,7-dinitro-naphthalene-2-sulfonate Formula: C20H10N4Na2O16S2 MolecularWeight: 672.42014

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H6N2O8S.2Na/c2*13-10-7-3-5(21(18,19)20)1-2-6(7)8(11(14)15)4-9(10)12(16)17;;/h2*1-4,13H,(H,18,19,20);;/q;;2*+1/p-2