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

Systemtic Name: [2-(benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenyl] 4-methylbenzenesulfonate Openeye Name: [2-(benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic 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-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenyl] ester Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C(C)(C)CC(C)(C)C)N3N=C4C=CC=CC4=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C(C)(C)CC(C)(C)C)N3N=C4C=CC=CC4=N3

InChI

InChI=1S/C27H31N3O3S/c1-19-11-14-21(15-12-19)34(31,32)33-25-16-13-20(27(5,6)18-26(2,3)4)17-24(25)30-28-22-9-7-8-10-23(22)29-30/h7-17H,18H2,1-6H3