4-[4-(1,2,4-triazol-1-yl)phenoxy]benzenesulfonic acid

Systemtic Name: 4-[4-(1,2,4-triazol-1-yl)phenoxy]benzenesulfonic acid Openeye Name: 4-[4-(1,2,4-triazol-1-yl)phenoxy]benzenesulfonic acid CAS Name: 4-[4-(1,2,4-triazol-1-yl)phenoxy]benzenesulfonic acid IUPAC Name: 4-[4-(1,2,4-triazol-1-yl)phenoxy]benzenesulfonic acid Traditional Name: 4-[4-(1,2,4-triazol-1-yl)phenoxy]besylic acid Formula: C14H11N3O4S MolecularWeight: 317.31984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=NC=N2)OC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N2C=NC=N2)OC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C14H11N3O4S/c18-22(19,20)14-7-5-13(6-8-14)21-12-3-1-11(2-4-12)17-10-15-9-16-17/h1-10H,(H,18,19,20)