4-(5-ethoxy-4-methanoyl-3-oxidanylidene-1H-pyrazol-2-yl)-3-methyl-benzenesulfonic acid

Systemtic Name: 4-(5-ethoxy-4-methanoyl-3-oxidanylidene-1H-pyrazol-2-yl)-3-methyl-benzenesulfonic acid Openeye Name: 4-(5-ethoxy-4-formyl-3-oxo-1H-pyrazol-2-yl)-3-methyl-benzenesulfonic acid CAS Name: 4-(5-ethoxy-4-formyl-3-oxo-1H-pyrazol-2-yl)-3-methylbenzenesulfonic acid IUPAC Name: 4-(5-ethoxy-4-formyl-3-oxo-1H-pyrazol-2-yl)-3-methylbenzenesulfonic acid Traditional Name: 4-(3-ethoxy-4-formyl-5-keto-3-pyrazolin-1-yl)-3-methyl-besylic acid Formula: C13H14N2O6S MolecularWeight: 326.32506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=O)N(N1)C2=C(C=C(C=C2)S(=O)(=O)O)C)C=O

Isomeric SMILES

CCOC1=C(C(=O)N(N1)C2=C(C=C(C=C2)S(=O)(=O)O)C)C=O

InChI

InChI=1S/C13H14N2O6S/c1-3-21-12-10(7-16)13(17)15(14-12)11-5-4-9(6-8(11)2)22(18,19)20/h4-7,14H,3H2,1-2H3,(H,18,19,20)