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

Systemtic Name: [2-(benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenyl] 4-methoxybenzenesulfonate Openeye Name: [2-(benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic 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] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-(benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenyl] ester Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O4S/c1-26(2,3)18-27(4,5)19-11-16-25(34-35(31,32)21-14-12-20(33-6)13-15-21)24(17-19)30-28-22-9-7-8-10-23(22)29-30/h7-17H,18H2,1-6H3