bis(chloranyl)titanium; 2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)-thiophen-3-yl-methyl]-4-methyl-phenol

Systemtic Name: bis(chloranyl)titanium; 2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)-thiophen-3-yl-methyl]-4-methyl-phenol Openeye Name: 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methyl-phenyl)-(3-thienyl)methyl]-4-methyl-phenol; dichlorotitanium CAS Name: 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-(3-thiophenyl)methyl]-4-methylphenol; dichlorotitanium IUPAC Name: 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-thiophen-3-ylmethyl]-4-methylphenol; dichlorotitanium Traditional Name: 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methyl-phenyl)-(3-thienyl)methyl]-4-methyl-phenol; dichlorotitanium Formula: C27H34Cl2O2STi MolecularWeight: 541.39566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C2=CSC=C2)C3=C(C(=CC(=C3)C)C(C)(C)C)O.Cl[Ti]Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C2=CSC=C2)C3=C(C(=CC(=C3)C)C(C)(C)C)O.Cl[Ti]Cl

InChI

InChI=1S/C27H34O2S.2ClH.Ti/c1-16-11-19(24(28)21(13-16)26(3,4)5)23(18-9-10-30-15-18)20-12-17(2)14-22(25(20)29)27(6,7)8;;;/h9-15,23,28-29H,1-8H3;2*1H;/q;;;+2/p-2