chloranyltitanium(1+); 2,4-ditert-butyl-6-(3,4-diphenylcyclopentyl)phenol; hydrate

Systemtic Name: chloranyltitanium(1+); 2,4-ditert-butyl-6-(3,4-diphenylcyclopentyl)phenol; hydrate Openeye Name: chlorotitanium(1+); 2,4-ditert-butyl-6-(3,4-diphenylcyclopentyl)phenol; hydrate CAS Name: chlorotitanium(1+); 2,4-ditert-butyl-6-(3,4-diphenylcyclopentyl)phenol; hydrate IUPAC Name: chlorotitanium(1+); 2,4-ditert-butyl-6-(3,4-diphenylcyclopentyl)phenol; hydrate Traditional Name: chlorotitanium(1+); 2,4-ditert-butyl-6-(3,4-diphenylcyclopentyl)phenol; hydrate Formula: C62H68Cl2O3Ti2+2 MolecularWeight: 1027.84152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)[C]2[CH][C]([C]([CH]2)C3=CC=CC=C3)C4=CC=CC=C4)O)C(C)(C)C.CC(C)(C)C1=CC(=C(C(=C1)[C]2[CH][C]([C]([CH]2)C3=CC=CC=C3)C4=CC=CC=C4)O)C(C)(C)C.O.Cl[Ti+].Cl[Ti+]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)[C]2[CH][C]([C]([CH]2)C3=CC=CC=C3)C4=CC=CC=C4)O)C(C)(C)C.CC(C)(C)C1=CC(=C(C(=C1)[C]2[CH][C]([C]([CH]2)C3=CC=CC=C3)C4=CC=CC=C4)O)C(C)(C)C.O.Cl[Ti+].Cl[Ti+]

InChI

InChI=1S/2C31H33O.2ClH.H2O.2Ti/c2*1-30(2,3)24-19-27(29(32)28(20-24)31(4,5)6)23-17-25(21-13-9-7-10-14-21)26(18-23)22-15-11-8-12-16-22;;;;;/h2*7-20,32H,1-6H3;2*1H;1H2;;/q;;;;;2*+2/p-2