4-(benzotriazol-1-yl)-2-(5-bromanyl-3-methyl-2-oxidanyl-phenyl)sulfanyl-6-methyl-phenol; bis(chloranyl)titanium

Systemtic Name: 4-(benzotriazol-1-yl)-2-(5-bromanyl-3-methyl-2-oxidanyl-phenyl)sulfanyl-6-methyl-phenol; bis(chloranyl)titanium Openeye Name: 4-(benzotriazol-1-yl)-2-(5-bromo-2-hydroxy-3-methyl-phenyl)sulfanyl-6-methyl-phenol; dichlorotitanium CAS Name: 4-(1-benzotriazolyl)-2-[(5-bromo-2-hydroxy-3-methylphenyl)thio]-6-methylphenol; dichlorotitanium IUPAC Name: 4-(benzotriazol-1-yl)-2-(5-bromo-2-hydroxy-3-methylphenyl)sulfanyl-6-methylphenol; dichlorotitanium Traditional Name: 4-(benzotriazol-1-yl)-2-[(5-bromo-2-hydroxy-3-methyl-phenyl)thio]-6-methyl-phenol; dichlorotitanium Formula: C20H16BrCl2N3O2STi MolecularWeight: 561.10194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)SC2=C(C(=CC(=C2)Br)C)O)N3C4=CC=CC=C4N=N3.Cl[Ti]Cl

Isomeric SMILES

CC1=CC(=CC(=C1O)SC2=C(C(=CC(=C2)Br)C)O)N3C4=CC=CC=C4N=N3.Cl[Ti]Cl

InChI

InChI=1S/C20H16BrN3O2S.2ClH.Ti/c1-11-7-13(21)9-17(19(11)25)27-18-10-14(8-12(2)20(18)26)24-16-6-4-3-5-15(16)22-23-24;;;/h3-10,25-26H,1-2H3;2*1H;/q;;;+2/p-2