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

Systemtic Name: 2-tert-butyl-4-chloranyl-phenol; 9H-fluoren-9-ide; propan-2-ylidenetitanium(1+); dichloride Openeye Name: 2-tert-butyl-4-chloro-phenol; 9H-fluoren-9-ide; isopropylidenetitanium(1+); dichloride CAS Name: 2-tert-butyl-4-chlorophenol; 9H-fluoren-9-ide; propan-2-ylidenetitanium(1+); dichloride IUPAC Name: 2-tert-butyl-4-chlorophenol; 9H-fluoren-9-ide; propan-2-ylidenetitanium(1+); dichloride Traditional Name: 2-tert-butyl-4-chloro-phenol; 9H-fluoren-9-ide; isopropylidenetitanium(1+); dichloride Formula: C26H28Cl3OTi-2 MolecularWeight: 510.72592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9.C10H13ClO.C3H6.2ClH.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;1-3-2;;;/h1-9H;4-6,12H,1-3H3;1-2H3;2*1H;/q-1;;;;;+1/p-2