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

Systemtic Name: 2-tert-butyl-4-methyl-phenol; 9H-fluoren-9-ide; propan-2-ylidenetitanium(1+); dichloride Openeye Name: 2-tert-butyl-4-methyl-phenol; 9H-fluoren-9-ide; isopropylidenetitanium(1+); dichloride CAS Name: 2-tert-butyl-4-methylphenol; 9H-fluoren-9-ide; propan-2-ylidenetitanium(1+); dichloride IUPAC Name: 2-tert-butyl-4-methylphenol; 9H-fluoren-9-ide; propan-2-ylidenetitanium(1+); dichloride Traditional Name: 2-tert-butyl-4-methyl-phenol; 9H-fluoren-9-ide; isopropylidenetitanium(1+); dichloride Formula: C27H31Cl2OTi-2 MolecularWeight: 490.30744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(C)(C)C.CC(=[Ti+])C.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(C)(C)C.CC(=[Ti+])C.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[Cl-].[Cl-]

InChI

InChI=1S/C13H9.C11H16O.C3H6.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-8-5-6-10(12)9(7-8)11(2,3)4;1-3-2;;;/h1-9H;5-7,12H,1-4H3;1-2H3;2*1H;/q-1;;;;;+1/p-2