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

Systemtic Name: 4-[5-acetamido-4-[(1E,3E,5Z)-5-[3-acetamido-5-oxidanylidene-1-(4-sulfophenyl)pyrazol-4-ylidene]penta-1,3-dienyl]-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid Openeye Name: 4-[5-acetamido-4-[(1E,3E,5Z)-5-[3-acetamido-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]penta-1,3-dienyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid CAS Name: 4-[5-acetamido-4-[(1E,3E,5Z)-5-[3-acetamido-5-oxo-1-(4-sulfophenyl)-4-pyrazolylidene]penta-1,3-dienyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid IUPAC Name: 4-[5-acetamido-4-[(1E,3E,5Z)-5-[3-acetamido-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]penta-1,3-dienyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid Traditional Name: 4-[3-acetamido-4-[(1E,3E,5Z)-5-[3-acetamido-5-keto-1-(4-sulfophenyl)-2-pyrazolin-4-ylidene]penta-1,3-dienyl]-5-keto-3-pyrazolin-1-yl]besylic acid Formula: C27H24N6O10S2 MolecularWeight: 656.64366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)C=CC=CC=C3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)NC(=O)C

Isomeric SMILES

CC(=O)NC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)/C=C/C=C/C=C\3/C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)NC(=O)C

InChI

InChI=1S/C27H24N6O10S2/c1-16(34)28-24-22(26(36)32(30-24)18-8-12-20(13-9-18)44(38,39)40)6-4-3-5-7-23-25(29-17(2)35)31-33(27(23)37)19-10-14-21(15-11-19)45(41,42)43/h3-15,30H,1-2H3,(H,28,34)(H,29,31,35)(H,38,39,40)(H,41,42,43)/b5-3+,6-4+,23-7-