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

Systemtic Name: 4-[5-methoxycarbonyl-4-[3-[3-methoxycarbonyl-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]prop-1-enyl]-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonate Openeye Name: 4-[5-methoxycarbonyl-4-[3-[3-methoxycarbonyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]prop-1-enyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate CAS Name: 4-[5-methoxycarbonyl-4-[3-[3-methoxycarbonyl-5-oxo-1-(4-sulfonatophenyl)-4-pyrazolylidene]prop-1-enyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate IUPAC Name: 4-[5-methoxycarbonyl-4-[3-[3-methoxycarbonyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]prop-1-enyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate Traditional Name: 4-[3-carbomethoxy-4-[3-[3-carbomethoxy-5-keto-1-(4-sulfonatophenyl)-2-pyrazolin-4-ylidene]prop-1-enyl]-5-keto-3-pyrazolin-1-yl]besylate Formula: C25H18N4O12S2-2 MolecularWeight: 630.56002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=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(=O)OC

Isomeric SMILES

COC(=O)C1=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(=O)OC

InChI

InChI=1S/C25H20N4O12S2/c1-40-24(32)20-18(22(30)28(26-20)14-6-10-16(11-7-14)42(34,35)36)4-3-5-19-21(25(33)41-2)27-29(23(19)31)15-8-12-17(13-9-15)43(37,38)39/h3-13,26H,1-2H3,(H,34,35,36)(H,37,38,39)/p-2