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

Systemtic Name: 4-[5-methyl-4-[3-[3-methyl-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]prop-1-enyl]-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonate Openeye Name: 4-[5-methyl-4-[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-[3-[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4-pyrazolylidene]prop-1-enyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate IUPAC Name: 4-[5-methyl-4-[3-[3-methyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]prop-1-enyl]-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]prop-1-enyl]-3-methyl-3-pyrazolin-1-yl]besylate Formula: C23H18N4O8S2-2 MolecularWeight: 542.54102

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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

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

InChI

InChI=1S/C23H20N4O8S2/c1-14-20(22(28)26(24-14)16-6-10-18(11-7-16)36(30,31)32)4-3-5-21-15(2)25-27(23(21)29)17-8-12-19(13-9-17)37(33,34)35/h3-13,24H,1-2H3,(H,30,31,32)(H,33,34,35)/p-2