5-azido-2-[3-(4-azido-2-sulfo-phenyl)carbonyl-2-oxidanylidene-cyclopentyl]carbonyl-benzenesulfonic acid

Systemtic Name: 5-azido-2-[3-(4-azido-2-sulfo-phenyl)carbonyl-2-oxidanylidene-cyclopentyl]carbonyl-benzenesulfonic acid Openeye Name: 5-azido-2-[3-(4-azido-2-sulfo-benzoyl)-2-oxo-cyclopentanecarbonyl]benzenesulfonic acid CAS Name: 5-azido-2-[[3-[(4-azido-2-sulfophenyl)-oxomethyl]-2-oxocyclopentyl]-oxomethyl]benzenesulfonic acid IUPAC Name: 5-azido-2-[3-(4-azido-2-sulfobenzoyl)-2-oxocyclopentanecarbonyl]benzenesulfonic acid Traditional Name: 5-azido-2-[3-(4-azido-2-sulfo-benzoyl)-2-keto-cyclopentanecarbonyl]besylic acid Formula: C19H14N6O9S2 MolecularWeight: 534.47926

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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

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

InChI

InChI=1S/C19H14N6O9S2/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)