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

Systemtic Name: 4-[4-[(E,3Z)-3-[3,5-bis(oxidanylidene)-1-(4-sulfophenyl)pyrazolidin-4-ylidene]prop-1-enyl]-3-oxidanyl-5-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid Openeye Name: 4-[4-[(E,3Z)-3-[3,5-dioxo-1-(4-sulfophenyl)pyrazolidin-4-ylidene]prop-1-enyl]-3-hydroxy-5-oxo-1H-pyrazol-2-yl]benzenesulfonic acid CAS Name: 4-[4-[(E,3Z)-3-[3,5-dioxo-1-(4-sulfophenyl)-4-pyrazolidinylidene]prop-1-enyl]-3-hydroxy-5-oxo-1H-pyrazol-2-yl]benzenesulfonic acid IUPAC Name: 4-[4-[(E,3Z)-3-[3,5-dioxo-1-(4-sulfophenyl)pyrazolidin-4-ylidene]prop-1-enyl]-3-hydroxy-5-oxo-1H-pyrazol-2-yl]benzenesulfonic acid Traditional Name: 4-[4-[(E,3Z)-3-[3,5-diketo-1-(4-sulfophenyl)pyrazolidin-4-ylidene]prop-1-enyl]-5-hydroxy-3-keto-3-pyrazolin-1-yl]besylic acid Formula: C21H16N4O10S2 MolecularWeight: 548.50254

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H16N4O10S2/c26-18-16(20(28)24(22-18)12-4-8-14(9-5-12)36(30,31)32)2-1-3-17-19(27)23-25(21(17)29)13-6-10-15(11-7-13)37(33,34)35/h1-11,28H,(H,22,26)(H,23,27)(H,30,31,32)(H,33,34,35)/b2-1+,17-3-