2,3-bis(benzotriazol-1-yl)-4-(4-sulfophenoxy)benzenesulfonic acid

Systemtic Name: 2,3-bis(benzotriazol-1-yl)-4-(4-sulfophenoxy)benzenesulfonic acid Openeye Name: 2,3-bis(benzotriazol-1-yl)-4-(4-sulfophenoxy)benzenesulfonic acid CAS Name: 2,3-bis(1-benzotriazolyl)-4-(4-sulfophenoxy)benzenesulfonic acid IUPAC Name: 2,3-bis(benzotriazol-1-yl)-4-(4-sulfophenoxy)benzenesulfonic acid Traditional Name: 2,3-bis(benzotriazol-1-yl)-4-(4-sulfophenoxy)besylic acid Formula: C24H16N6O7S2 MolecularWeight: 564.54984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=C(C=CC(=C3N4C5=CC=CC=C5N=N4)S(=O)(=O)O)OC6=CC=C(C=C6)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C=CC(=C3N4C5=CC=CC=C5N=N4)S(=O)(=O)O)OC6=CC=C(C=C6)S(=O)(=O)O

InChI

InChI=1S/C24H16N6O7S2/c31-38(32,33)16-11-9-15(10-12-16)37-21-13-14-22(39(34,35)36)24(30-20-8-4-2-6-18(20)26-28-30)23(21)29-19-7-3-1-5-17(19)25-27-29/h1-14H,(H,31,32,33)(H,34,35,36)