4-[3-oxidanylidene-5-[4-[3-oxidanylidene-2-(4-sulfophenyl)-1H-pyrazol-5-yl]butyl]-1H-pyrazol-2-yl]benzenesulfonic acid

Systemtic Name: 4-[3-oxidanylidene-5-[4-[3-oxidanylidene-2-(4-sulfophenyl)-1H-pyrazol-5-yl]butyl]-1H-pyrazol-2-yl]benzenesulfonic acid Openeye Name: 4-[3-oxo-5-[4-[3-oxo-2-(4-sulfophenyl)-1H-pyrazol-5-yl]butyl]-1H-pyrazol-2-yl]benzenesulfonic acid CAS Name: 4-[3-oxo-5-[4-[3-oxo-2-(4-sulfophenyl)-1H-pyrazol-5-yl]butyl]-1H-pyrazol-2-yl]benzenesulfonic acid IUPAC Name: 4-[3-oxo-5-[4-[3-oxo-2-(4-sulfophenyl)-1H-pyrazol-5-yl]butyl]-1H-pyrazol-2-yl]benzenesulfonic acid Traditional Name: 4-[5-keto-3-[4-[5-keto-1-(4-sulfophenyl)-3-pyrazolin-3-yl]butyl]-3-pyrazolin-1-yl]besylic acid Formula: C22H22N4O8S2 MolecularWeight: 534.56208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C=C(N2)CCCCC3=CC(=O)N(N3)C4=CC=C(C=C4)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C=C(N2)CCCCC3=CC(=O)N(N3)C4=CC=C(C=C4)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H22N4O8S2/c27-21-13-15(23-25(21)17-5-9-19(10-6-17)35(29,30)31)3-1-2-4-16-14-22(28)26(24-16)18-7-11-20(12-8-18)36(32,33)34/h5-14,23-24H,1-4H2,(H,29,30,31)(H,32,33,34)