2-tert-butyl-4-chloranyl-phenol; 9H-fluoren-9-ide; methylidenetitanium(1+); dichloride

Systemtic Name: 2-tert-butyl-4-chloranyl-phenol; 9H-fluoren-9-ide; methylidenetitanium(1+); dichloride Openeye Name: 2-tert-butyl-4-chloro-phenol; 9H-fluoren-9-ide; methylenetitanium(1+); dichloride CAS Name: 2-tert-butyl-4-chlorophenol; 9H-fluoren-9-ide; methylenetitanium(1+); dichloride IUPAC Name: 2-tert-butyl-4-chlorophenol; 9H-fluoren-9-ide; methylidenetitanium(1+); dichloride Traditional Name: 2-tert-butyl-4-chloro-phenol; 9H-fluoren-9-ide; methylenetitanium(1+); dichloride Formula: C24H24Cl3OTi-2 MolecularWeight: 482.67276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Cl)O.C=[Ti+].[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[Cl-].[Cl-]

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Cl)O.C=[Ti+].[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[Cl-].[Cl-]

InChI

InChI=1S/C13H9.C10H13ClO.CH2.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-10(2,3)8-6-7(11)4-5-9(8)12;;;;/h1-9H;4-6,12H,1-3H3;1H2;2*1H;/q-1;;;;;+1/p-2