2-(2,2-dimethylpropyl)-4-methyl-6-[5-(trioxidanylsulfanyl)benzotriazol-2-yl]phenol

Systemtic Name: 2-(2,2-dimethylpropyl)-4-methyl-6-[5-(trioxidanylsulfanyl)benzotriazol-2-yl]phenol Openeye Name: 2-(2,2-dimethylpropyl)-4-methyl-6-[5-(trioxidanylsulfanyl)benzotriazol-2-yl]phenol CAS Name: 2-[3-(2,2-dimethylpropyl)-2-hydroxy-5-methylphenyl]-5-benzotriazolesulfenic acid hydroperoxy ester IUPAC Name: 2-(2,2-dimethylpropyl)-4-methyl-6-[5-(trioxidanylsulfanyl)benzotriazol-2-yl]phenol Traditional Name: 4-methyl-2-neopentyl-6-[5-(trioxidanylthio)benzotriazol-2-yl]phenol Formula: C18H21N3O4S MolecularWeight: 375.44204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)SOOO)O)CC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)SOOO)O)CC(C)(C)C

InChI

InChI=1S/C18H21N3O4S/c1-11-7-12(10-18(2,3)4)17(22)16(8-11)21-19-14-6-5-13(26-25-24-23)9-15(14)20-21/h5-9,22-23H,10H2,1-4H3