[2-(benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenyl] benzenesulfonate

Systemtic Name: [2-(benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenyl] benzenesulfonate Openeye Name: [2-(benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-(2-benzotriazolyl)-4-(2,4,4-trimethylpentan-2-yl)phenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-(benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenyl] ester Formula: C26H29N3O3S MolecularWeight: 463.59176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)N3N=C4C=CC=CC4=N3

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)N3N=C4C=CC=CC4=N3

InChI

InChI=1S/C26H29N3O3S/c1-25(2,3)18-26(4,5)19-15-16-24(32-33(30,31)20-11-7-6-8-12-20)23(17-19)29-27-21-13-9-10-14-22(21)28-29/h6-17H,18H2,1-5H3