disodium 5-azido-2-[3-(4-azido-2-sulfonato-phenyl)carbonyl-2-oxidanylidene-cyclopentyl]carbonyl-benzenesulfonate

Systemtic Name: disodium 5-azido-2-[3-(4-azido-2-sulfonato-phenyl)carbonyl-2-oxidanylidene-cyclopentyl]carbonyl-benzenesulfonate Openeye Name: disodium 5-azido-2-[3-(4-azido-2-sulfonato-benzoyl)-2-oxo-cyclopentanecarbonyl]benzenesulfonate CAS Name: disodium 5-azido-2-[[3-[(4-azido-2-sulfonatophenyl)-oxomethyl]-2-oxocyclopentyl]-oxomethyl]benzenesulfonate IUPAC Name: disodium 5-azido-2-[3-(4-azido-2-sulfonatobenzoyl)-2-oxocyclopentanecarbonyl]benzenesulfonate Traditional Name: disodium 5-azido-2-[3-(4-azido-2-sulfonato-benzoyl)-2-keto-cyclopentanecarbonyl]besylate Formula: C19H12N6Na2O9S2 MolecularWeight: 578.44292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C1C(=O)C2=C(C=C(C=C2)N=[N+]=[N-])S(=O)(=O)[O-])C(=O)C3=C(C=C(C=C3)N=[N+]=[N-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1CC(C(=O)C1C(=O)C2=C(C=C(C=C2)N=[N+]=[N-])S(=O)(=O)[O-])C(=O)C3=C(C=C(C=C3)N=[N+]=[N-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C19H14N6O9S2.2Na/c20-24-22-9-1-3-11(15(7-9)35(29,30)31)17(26)13-5-6-14(19(13)28)18(27)12-4-2-10(23-25-21)8-16(12)36(32,33)34;;/h1-4,7-8,13-14H,5-6H2,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2