bis(chloranyl)titanium; 2-tert-butyl-6-(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)sulfanyl-4-methyl-phenol

Systemtic Name: bis(chloranyl)titanium; 2-tert-butyl-6-(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)sulfanyl-4-methyl-phenol Openeye Name: 2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methyl-phenyl)sulfanyl-4-methyl-phenol; dichlorotitanium CAS Name: 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)thio]-4-methylphenol; dichlorotitanium IUPAC Name: 2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol; dichlorotitanium Traditional Name: 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methyl-phenyl)thio]-4-methyl-phenol; dichlorotitanium Formula: C22H30Cl2O2STi MolecularWeight: 477.3104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)SC2=CC(=CC(=C2O)C(C)(C)C)C)O)C(C)(C)C.Cl[Ti]Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)SC2=CC(=CC(=C2O)C(C)(C)C)C)O)C(C)(C)C.Cl[Ti]Cl

InChI

InChI=1S/C22H30O2S.2ClH.Ti/c1-13-9-15(21(3,4)5)19(23)17(11-13)25-18-12-14(2)10-16(20(18)24)22(6,7)8;;;/h9-12,23-24H,1-8H3;2*1H;/q;;;+2/p-2