4-[4,5-bis(oxidanylidene)-2-(4-sulfophenyl)pyrazolidin-3-yl]benzenesulfonic acid

Systemtic Name: 4-[4,5-bis(oxidanylidene)-2-(4-sulfophenyl)pyrazolidin-3-yl]benzenesulfonic acid Openeye Name: 4-[4,5-dioxo-2-(4-sulfophenyl)pyrazolidin-3-yl]benzenesulfonic acid CAS Name: 4-[4,5-dioxo-2-(4-sulfophenyl)-3-pyrazolidinyl]benzenesulfonic acid IUPAC Name: 4-[4,5-dioxo-2-(4-sulfophenyl)pyrazolidin-3-yl]benzenesulfonic acid Traditional Name: 4-[4,5-diketo-2-(4-sulfophenyl)pyrazolidin-3-yl]besylic acid Formula: C15H12N2O8S2 MolecularWeight: 412.39438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2C(=O)C(=O)NN2C3=CC=C(C=C3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2C(=O)C(=O)NN2C3=CC=C(C=C3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H12N2O8S2/c18-14-13(9-1-5-11(6-2-9)26(20,21)22)17(16-15(14)19)10-3-7-12(8-4-10)27(23,24)25/h1-8,13H,(H,16,19)(H,20,21,22)(H,23,24,25)