3-tert-butylphenol; cyclopenta-1,4-dien-1-ylbenzene; propan-2-ylidenetitanium(1+); dichloride

Systemtic Name: 3-tert-butylphenol; cyclopenta-1,4-dien-1-ylbenzene; propan-2-ylidenetitanium(1+); dichloride Openeye Name: 3-tert-butylphenol; cyclopenta-1,4-dien-1-ylbenzene; isopropylidenetitanium(1+); dichloride CAS Name: 3-tert-butylphenol; 1-cyclopenta-1,4-dienylbenzene; propan-2-ylidenetitanium(1+); dichloride IUPAC Name: 3-tert-butylphenol; cyclopenta-1,4-dien-1-ylbenzene; propan-2-ylidenetitanium(1+); dichloride Traditional Name: 3-tert-butylphenol; cyclopenta-1,4-dien-1-ylbenzene; isopropylidenetitanium(1+); dichloride Formula: C24H29Cl2OTi-2 MolecularWeight: 452.25946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Ti+])C.CC(C)(C)C1=CC(=CC=C1)O.C1C=CC(=[C-]1)C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Ti+])C.CC(C)(C)C1=CC(=CC=C1)O.C1C=CC(=[C-]1)C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C11H9.C10H14O.C3H6.2ClH.Ti/c1-2-6-10(7-3-1)11-8-4-5-9-11;1-10(2,3)8-5-4-6-9(11)7-8;1-3-2;;;/h1-4,6-8H,5H2;4-7,11H,1-3H3;1-2H3;2*1H;/q-1;;;;;+1/p-2