4-[3-oxidanylidene-4-[(Z)-[5-oxidanylidene-3-phenoxycarbonyl-1-(4-sulfophenyl)pyrazol-4-ylidene]methyl]-5-phenoxycarbonyl-1H-pyrazol-2-yl]benzenesulfonic acid

Systemtic Name: 4-[3-oxidanylidene-4-[(Z)-[5-oxidanylidene-3-phenoxycarbonyl-1-(4-sulfophenyl)pyrazol-4-ylidene]methyl]-5-phenoxycarbonyl-1H-pyrazol-2-yl]benzenesulfonic acid Openeye Name: 4-[3-oxo-4-[(Z)-[5-oxo-3-phenoxycarbonyl-1-(4-sulfophenyl)pyrazol-4-ylidene]methyl]-5-phenoxycarbonyl-1H-pyrazol-2-yl]benzenesulfonic acid CAS Name: 4-[3-oxo-4-[(Z)-[5-oxo-3-[oxo(phenoxy)methyl]-1-(4-sulfophenyl)-4-pyrazolylidene]methyl]-5-[oxo(phenoxy)methyl]-1H-pyrazol-2-yl]benzenesulfonic acid IUPAC Name: 4-[3-oxo-4-[(Z)-[5-oxo-3-phenoxycarbonyl-1-(4-sulfophenyl)pyrazol-4-ylidene]methyl]-5-phenoxycarbonyl-1H-pyrazol-2-yl]benzenesulfonic acid Traditional Name: 4-[3-carbophenoxy-4-[(Z)-[3-carbophenoxy-5-keto-1-(4-sulfophenyl)-2-pyrazolin-4-ylidene]methyl]-5-keto-3-pyrazolin-1-yl]besylic acid Formula: C33H22N4O12S2 MolecularWeight: 730.67738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=C(C(=O)N(N2)C3=CC=C(C=C3)S(=O)(=O)O)C=C4C(=NN(C4=O)C5=CC=C(C=C5)S(=O)(=O)O)C(=O)OC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=C(C(=O)N(N2)C3=CC=C(C=C3)S(=O)(=O)O)/C=C\4/C(=NN(C4=O)C5=CC=C(C=C5)S(=O)(=O)O)C(=O)OC6=CC=CC=C6

InChI

InChI=1S/C33H22N4O12S2/c38-30-26(28(32(40)48-22-7-3-1-4-8-22)34-36(30)20-11-15-24(16-12-20)50(42,43)44)19-27-29(33(41)49-23-9-5-2-6-10-23)35-37(31(27)39)21-13-17-25(18-14-21)51(45,46)47/h1-19,34H,(H,42,43,44)(H,45,46,47)/b27-19-