disodium 5-nitro-2-[2-(4-nitro-2-sulfonato-phenyl)ethyl]benzenesulfonate

Systemtic Name: disodium 5-nitro-2-[2-(4-nitro-2-sulfonato-phenyl)ethyl]benzenesulfonate Openeye Name: disodium 5-nitro-2-[2-(4-nitro-2-sulfonato-phenyl)ethyl]benzenesulfonate CAS Name: disodium 5-nitro-2-[2-(4-nitro-2-sulfonatophenyl)ethyl]benzenesulfonate IUPAC Name: disodium 5-nitro-2-[2-(4-nitro-2-sulfonatophenyl)ethyl]benzenesulfonate Traditional Name: disodium 5-nitro-2-[2-(4-nitro-2-sulfonato-phenyl)ethyl]besylate Formula: C14H10N2Na2O10S2 MolecularWeight: 476.34614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)[O-])CCC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)[O-])CCC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C14H12N2O10S2.2Na/c17-15(18)11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(16(19)20)8-14(10)28(24,25)26;;/h3-8H,1-2H2,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2