5-(3,5-dimethylpyrazol-1-yl)-2-phenoxy-benzenesulfonate

Systemtic Name: 5-(3,5-dimethylpyrazol-1-yl)-2-phenoxy-benzenesulfonate Openeye Name: 5-(3,5-dimethylpyrazol-1-yl)-2-phenoxy-benzenesulfonate CAS Name: 5-(3,5-dimethyl-1-pyrazolyl)-2-phenoxybenzenesulfonate IUPAC Name: 5-(3,5-dimethylpyrazol-1-yl)-2-phenoxybenzenesulfonate Traditional Name: 5-(3,5-dimethylpyrazol-1-yl)-2-phenoxy-besylate Formula: C17H15N2O4S- MolecularWeight: 343.377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)[O-])C

InChI

InChI=1S/C17H16N2O4S/c1-12-10-13(2)19(18-12)14-8-9-16(17(11-14)24(20,21)22)23-15-6-4-3-5-7-15/h3-11H,1-2H3,(H,20,21,22)/p-1