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

Systemtic Name: [2-(benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenyl] hydrogen sulfate Openeye Name: [2-(benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenyl] hydrogen sulfate CAS Name: sulfuric 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] hydrogen sulfate Traditional Name: sulfuric acid [2-(benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenyl] ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OS(=O)(=O)O)N2N=C3C=CC=CC3=N2

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OS(=O)(=O)O)N2N=C3C=CC=CC3=N2

InChI

InChI=1S/C20H25N3O4S/c1-19(2,3)13-20(4,5)14-10-11-18(27-28(24,25)26)17(12-14)23-21-15-8-6-7-9-16(15)22-23/h6-12H,13H2,1-5H3,(H,24,25,26)