4-[2-(benzotriazol-2-yl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 4-[2-(benzotriazol-2-yl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,5-diene-1-carboxylate Openeye Name: 4-[2-(benzotriazol-2-yl)phenyl]-4-(1,1,3,3-tetramethylbutyl)cyclohexa-2,5-diene-1-carboxylate CAS Name: 4-[2-(2-benzotriazolyl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 4-[2-(benzotriazol-2-yl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,5-diene-1-carboxylate Traditional Name: 4-[2-(benzotriazol-2-yl)phenyl]-4-(1,1,3,3-tetramethylbutyl)cyclohexa-2,5-diene-1-carboxylate Formula: C27H30N3O2- MolecularWeight: 428.546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1(C=CC(C=C1)C(=O)[O-])C2=CC=CC=C2N3N=C4C=CC=CC4=N3

Isomeric SMILES

CC(C)(C)CC(C)(C)C1(C=CC(C=C1)C(=O)[O-])C2=CC=CC=C2N3N=C4C=CC=CC4=N3

InChI

InChI=1S/C27H31N3O2/c1-25(2,3)18-26(4,5)27(16-14-19(15-17-27)24(31)32)20-10-6-9-13-23(20)30-28-21-11-7-8-12-22(21)29-30/h6-17,19H,18H2,1-5H3,(H,31,32)/p-1