2-(1-adamantyl)-4-methyl-6-[(phenylmethylidene)amino]phenol; bis(chloranyl)titanium

Systemtic Name: 2-(1-adamantyl)-4-methyl-6-[(phenylmethylidene)amino]phenol; bis(chloranyl)titanium Openeye Name: 2-(1-adamantyl)-6-(benzylideneamino)-4-methyl-phenol; dichlorotitanium CAS Name: 2-(1-adamantyl)-4-methyl-6-[(phenylmethylene)amino]phenol; dichlorotitanium IUPAC Name: 2-(1-adamantyl)-6-(benzylideneamino)-4-methylphenol; dichlorotitanium Traditional Name: 2-(1-adamantyl)-6-(benzalamino)-4-methyl-phenol; dichlorotitanium Formula: C24H27Cl2NOTi MolecularWeight: 464.25028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C23CC4CC(C2)CC(C4)C3)O)N=CC5=CC=CC=C5.Cl[Ti]Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)C23CC4CC(C2)CC(C4)C3)O)N=CC5=CC=CC=C5.Cl[Ti]Cl

InChI

InChI=1S/C24H27NO.2ClH.Ti/c1-16-7-21(24-12-18-9-19(13-24)11-20(10-18)14-24)23(26)22(8-16)25-15-17-5-3-2-4-6-17;;;/h2-8,15,18-20,26H,9-14H2,1H3;2*1H;/q;;;+2/p-2