4-[5-methyl-4-[4-[3-methyl-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]but-2-en-2-yl]-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonate

Systemtic Name: 4-[5-methyl-4-[4-[3-methyl-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]but-2-en-2-yl]-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonate Openeye Name: 4-[5-methyl-4-[1-methyl-3-[3-methyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]prop-1-enyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate CAS Name: 4-[5-methyl-4-[4-[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4-pyrazolylidene]but-2-en-2-yl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate IUPAC Name: 4-[5-methyl-4-[4-[3-methyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]but-2-en-2-yl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate Traditional Name: 4-[5-keto-4-[3-[5-keto-3-methyl-1-(4-sulfonatophenyl)-2-pyrazolin-4-ylidene]-1-methyl-prop-1-enyl]-3-methyl-3-pyrazolin-1-yl]besylate Formula: C24H20N4O8S2-2 MolecularWeight: 556.5676

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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-])C(=CC=C3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)[O-])C(=CC=C3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C)C

InChI

InChI=1S/C24H22N4O8S2/c1-14(22-16(3)26-28(24(22)30)18-7-11-20(12-8-18)38(34,35)36)4-13-21-15(2)25-27(23(21)29)17-5-9-19(10-6-17)37(31,32)33/h4-13,26H,1-3H3,(H,31,32,33)(H,34,35,36)/p-2