2-[2-(benzotriazol-2-yl)-4-(2-methylheptan-2-yl)phenyl]benzenesulfonate

Systemtic Name: 2-[2-(benzotriazol-2-yl)-4-(2-methylheptan-2-yl)phenyl]benzenesulfonate Openeye Name: 2-[2-(benzotriazol-2-yl)-4-(1,1-dimethylhexyl)phenyl]benzenesulfonate CAS Name: 2-[2-(2-benzotriazolyl)-4-(2-methylheptan-2-yl)phenyl]benzenesulfonate IUPAC Name: 2-[2-(benzotriazol-2-yl)-4-(2-methylheptan-2-yl)phenyl]benzenesulfonate Traditional Name: 2-[2-(benzotriazol-2-yl)-4-(1,1-dimethylhexyl)phenyl]besylate Formula: C26H28N3O3S- MolecularWeight: 462.58382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=C(C=C1)C2=CC=CC=C2S(=O)(=O)[O-])N3N=C4C=CC=CC4=N3

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=C(C=C1)C2=CC=CC=C2S(=O)(=O)[O-])N3N=C4C=CC=CC4=N3

InChI

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