3-ethoxycarbonyl-1-methyl-5-phenyl-pyrazole-4-sulfonic acid

Systemtic Name: 3-ethoxycarbonyl-1-methyl-5-phenyl-pyrazole-4-sulfonic acid Openeye Name: 3-ethoxycarbonyl-1-methyl-5-phenyl-pyrazole-4-sulfonic acid CAS Name: 3-ethoxycarbonyl-1-methyl-5-phenyl-4-pyrazolesulfonic acid IUPAC Name: 3-ethoxycarbonyl-1-methyl-5-phenylpyrazole-4-sulfonic acid Traditional Name: 3-carbethoxy-1-methyl-5-phenyl-pyrazole-4-sulfonic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1S(=O)(=O)O)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1S(=O)(=O)O)C2=CC=CC=C2)C

InChI

InChI=1S/C13H14N2O5S/c1-3-20-13(16)10-12(21(17,18)19)11(15(2)14-10)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,17,18,19)