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

Systemtic Name: 4-[4-[(E,3Z)-3-[3-ethoxycarbonyl-5-oxidanylidene-1-(4-sulfophenyl)pyrazol-4-ylidene]prop-1-enyl]-5-(ethylperoxymethyl)-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid Openeye Name: 4-[4-[(E,3Z)-3-[3-ethoxycarbonyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]prop-1-enyl]-5-(ethylperoxymethyl)-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid CAS Name: 4-[4-[(E,3Z)-3-[3-ethoxycarbonyl-5-oxo-1-(4-sulfophenyl)-4-pyrazolylidene]prop-1-enyl]-5-(ethyldioxymethyl)-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid IUPAC Name: 4-[4-[(E,3Z)-3-[3-ethoxycarbonyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]prop-1-enyl]-5-(ethylperoxymethyl)-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid Traditional Name: 4-[4-[(E,3Z)-3-[3-carbethoxy-5-keto-1-(4-sulfophenyl)-2-pyrazolin-4-ylidene]prop-1-enyl]-3-(ethylperoxymethyl)-5-keto-3-pyrazolin-1-yl]besylic acid Formula: C27H26N4O12S2 MolecularWeight: 662.64494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C1=CC=CC2=C(NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)COOCC)C4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C\1=NN(C(=O)/C1=C\C=C\C2=C(NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)COOCC)C4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C27H26N4O12S2/c1-3-41-27(34)24-22(26(33)31(29-24)18-10-14-20(15-11-18)45(38,39)40)7-5-6-21-23(16-43-42-4-2)28-30(25(21)32)17-8-12-19(13-9-17)44(35,36)37/h5-15,28H,3-4,16H2,1-2H3,(H,35,36,37)(H,38,39,40)/b6-5+,22-7-