4-[4-[(1E,3E,5Z)-5-[3,5-bis(oxidanylidene)-1-(4-sulfophenyl)pyrazolidin-4-ylidene]penta-1,3-dienyl]-3-oxidanyl-5-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid

Systemtic Name: 4-[4-[(1E,3E,5Z)-5-[3,5-bis(oxidanylidene)-1-(4-sulfophenyl)pyrazolidin-4-ylidene]penta-1,3-dienyl]-3-oxidanyl-5-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid Openeye Name: 4-[4-[(1E,3E,5Z)-5-[3,5-dioxo-1-(4-sulfophenyl)pyrazolidin-4-ylidene]penta-1,3-dienyl]-3-hydroxy-5-oxo-1H-pyrazol-2-yl]benzenesulfonic acid CAS Name: 4-[4-[(1E,3E,5Z)-5-[3,5-dioxo-1-(4-sulfophenyl)-4-pyrazolidinylidene]penta-1,3-dienyl]-3-hydroxy-5-oxo-1H-pyrazol-2-yl]benzenesulfonic acid IUPAC Name: 4-[4-[(1E,3E,5Z)-5-[3,5-dioxo-1-(4-sulfophenyl)pyrazolidin-4-ylidene]penta-1,3-dienyl]-3-hydroxy-5-oxo-1H-pyrazol-2-yl]benzenesulfonic acid Traditional Name: 4-[4-[(1E,3E,5Z)-5-[3,5-diketo-1-(4-sulfophenyl)pyrazolidin-4-ylidene]penta-1,3-dienyl]-5-hydroxy-3-keto-3-pyrazolin-1-yl]besylic acid Formula: C23H18N4O10S2 MolecularWeight: 574.53982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=C(C(=O)N2)C=CC=CC=C3C(=O)NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N2C(=C(C(=O)N2)/C=C/C=C/C=C\3/C(=O)NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)O)S(=O)(=O)O

InChI

InChI=1S/C23H18N4O10S2/c28-20-18(22(30)26(24-20)14-6-10-16(11-7-14)38(32,33)34)4-2-1-3-5-19-21(29)25-27(23(19)31)15-8-12-17(13-9-15)39(35,36)37/h1-13,30H,(H,24,28)(H,25,29)(H,32,33,34)(H,35,36,37)/b3-1+,4-2+,19-5-