disodium 3-nitro-4-(2-nitro-4-sulfonato-phenyl)benzenesulfonate

Systemtic Name: disodium 3-nitro-4-(2-nitro-4-sulfonato-phenyl)benzenesulfonate Openeye Name: disodium 3-nitro-4-(2-nitro-4-sulfonato-phenyl)benzenesulfonate CAS Name: disodium 3-nitro-4-(2-nitro-4-sulfonatophenyl)benzenesulfonate IUPAC Name: disodium 3-nitro-4-(2-nitro-4-sulfonatophenyl)benzenesulfonate Traditional Name: disodium 3-nitro-4-(2-nitro-4-sulfonato-phenyl)besylate Formula: C12H6N2Na2O10S2 MolecularWeight: 448.29298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N2O10S2.2Na/c15-13(16)11-5-7(25(19,20)21)1-3-9(11)10-4-2-8(26(22,23)24)6-12(10)14(17)18;;/h1-6H,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2