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

Systemtic Name: 4-[5-methyl-4-[(E,4Z)-4-[3-methyl-5-oxidanylidene-1-(4-sulfophenyl)pyrazol-4-ylidene]but-2-enyl]-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid Openeye Name: 4-[5-methyl-4-[(E,4Z)-4-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]but-2-enyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid CAS Name: 4-[5-methyl-4-[(E,4Z)-4-[3-methyl-5-oxo-1-(4-sulfophenyl)-4-pyrazolylidene]but-2-enyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid IUPAC Name: 4-[5-methyl-4-[(E,4Z)-4-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]but-2-enyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid Traditional Name: 4-[5-keto-4-[(E,4Z)-4-[5-keto-3-methyl-1-(4-sulfophenyl)-2-pyrazolin-4-ylidene]but-2-enyl]-3-methyl-3-pyrazolin-1-yl]besylic acid Formula: C24H22N4O8S2 MolecularWeight: 558.58348

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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)CC=CC=C3C(=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)C/C=C/C=C\3/C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C

InChI

InChI=1S/C24H22N4O8S2/c1-15-21(23(29)27(25-15)17-7-11-19(12-8-17)37(31,32)33)5-3-4-6-22-16(2)26-28(24(22)30)18-9-13-20(14-10-18)38(34,35)36/h3-5,7-14,26H,6H2,1-2H3,(H,31,32,33)(H,34,35,36)/b4-3+,21-5-