4-[(4E)-4-[1-ethoxy-1,3-bis(oxidanylidene)butan-2-ylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[(4E)-4-[1-ethoxy-1,3-bis(oxidanylidene)butan-2-ylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4E)-4-(1-ethoxycarbonyl-2-oxo-propylidene)-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4E)-4-(1-ethoxy-1,3-dioxobutan-2-ylidene)-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[(4E)-4-(1-ethoxy-1,3-dioxobutan-2-ylidene)-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4E)-4-(1-carbethoxy-2-keto-propylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C16H16N2O7S MolecularWeight: 380.37244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)C)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O7S/c1-4-25-16(21)14(10(3)19)13-9(2)17-18(15(13)20)11-5-7-12(8-6-11)26(22,23)24/h5-8H,4H2,1-3H3,(H,22,23,24)/b14-13+