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

Systemtic Name: 2-[[4-[(1E,3E,5E)-5-[3-(2-hydroxyethylcarbamoyl)-5-oxidanylidene-1-[(2-sulfophenyl)methyl]pyrazol-4-ylidene]penta-1,3-dienyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]methyl]benzenesulfonic acid Openeye Name: 2-[[4-[(1E,3E,5E)-5-[3-(2-hydroxyethylcarbamoyl)-5-oxo-1-[(2-sulfophenyl)methyl]pyrazol-4-ylidene]penta-1,3-dienyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]methyl]benzenesulfonic acid CAS Name: 2-[[4-[(1E,3E,5E)-5-[3-[(2-hydroxyethylamino)-oxomethyl]-5-oxo-1-[(2-sulfophenyl)methyl]-4-pyrazolylidene]penta-1,3-dienyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]methyl]benzenesulfonic acid IUPAC Name: 2-[[4-[(1E,3E,5E)-5-[3-(2-hydroxyethylcarbamoyl)-5-oxo-1-[(2-sulfophenyl)methyl]pyrazol-4-ylidene]penta-1,3-dienyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]methyl]benzenesulfonic acid Traditional Name: 2-[[4-[(1E,3E,5E)-5-[3-(2-hydroxyethylcarbamoyl)-5-keto-1-(2-sulfobenzyl)-2-pyrazolin-4-ylidene]penta-1,3-dienyl]-5-keto-3-methyl-3-pyrazolin-1-yl]methyl]besylic acid Formula: C29H29N5O10S2 MolecularWeight: 671.69806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)CC2=CC=CC=C2S(=O)(=O)O)C=CC=CC=C3C(=NN(C3=O)CC4=CC=CC=C4S(=O)(=O)O)C(=O)NCCO

Isomeric SMILES

CC1=C(C(=O)N(N1)CC2=CC=CC=C2S(=O)(=O)O)/C=C/C=C/C=C/3\C(=NN(C3=O)CC4=CC=CC=C4S(=O)(=O)O)C(=O)NCCO

InChI

InChI=1S/C29H29N5O10S2/c1-19-22(28(37)33(31-19)17-20-9-5-7-13-24(20)45(39,40)41)11-3-2-4-12-23-26(27(36)30-15-16-35)32-34(29(23)38)18-21-10-6-8-14-25(21)46(42,43)44/h2-14,31,35H,15-18H2,1H3,(H,30,36)(H,39,40,41)(H,42,43,44)/b4-2+,11-3+,23-12+