3-[4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propane-1-sulfonic acid

Systemtic Name: 3-[4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propane-1-sulfonic acid Openeye Name: 3-[4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propane-1-sulfonic acid CAS Name: 3-[4-[5-phenyl-3-(trifluoromethyl)-1-pyrazolyl]phenyl]-1-propanesulfonic acid IUPAC Name: 3-[4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propane-1-sulfonic acid Traditional Name: 3-[4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propane-1-sulfonic acid Formula: C19H17F3N2O3S MolecularWeight: 410.41009

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)CCCS(=O)(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)CCCS(=O)(=O)O)C(F)(F)F

InChI

InChI=1S/C19H17F3N2O3S/c20-19(21,22)18-13-17(15-6-2-1-3-7-15)24(23-18)16-10-8-14(9-11-16)5-4-12-28(25,26)27/h1-3,6-11,13H,4-5,12H2,(H,25,26,27)