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

Systemtic Name: 4-[5-methyl-4-[5-[5-methyl-3-oxidanylidene-2-(4-sulfophenyl)-1H-pyrazol-4-yl]pentyl]-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid Openeye Name: 4-[5-methyl-4-[5-[5-methyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]pentyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid CAS Name: 4-[5-methyl-4-[5-[5-methyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]pentyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid IUPAC Name: 4-[5-methyl-4-[5-[5-methyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]pentyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid Traditional Name: 4-[5-keto-4-[5-[5-keto-3-methyl-1-(4-sulfophenyl)-3-pyrazolin-4-yl]pentyl]-3-methyl-3-pyrazolin-1-yl]besylic acid Formula: C25H28N4O8S2 MolecularWeight: 576.64182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)CCCCCC3=C(NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)CCCCCC3=C(NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C

InChI

InChI=1S/C25H28N4O8S2/c1-16-22(24(30)28(26-16)18-8-12-20(13-9-18)38(32,33)34)6-4-3-5-7-23-17(2)27-29(25(23)31)19-10-14-21(15-11-19)39(35,36)37/h8-15,26-27H,3-7H2,1-2H3,(H,32,33,34)(H,35,36,37)