2-tert-butylcyclopenta-1,3-diene; 3-phenylphenol; propan-2-ylidenetitanium(1+); dichloride

Systemtic Name: 2-tert-butylcyclopenta-1,3-diene; 3-phenylphenol; propan-2-ylidenetitanium(1+); dichloride Openeye Name: 2-tert-butylcyclopenta-1,3-diene; isopropylidenetitanium(1+); 3-phenylphenol; dichloride CAS Name: 2-tert-butylcyclopenta-1,3-diene; 3-phenylphenol; propan-2-ylidenetitanium(1+); dichloride IUPAC Name: 2-tert-butylcyclopenta-1,3-diene; 3-phenylphenol; propan-2-ylidenetitanium(1+); dichloride Traditional Name: 2-tert-butylcyclopenta-1,3-diene; isopropylidenetitanium(1+); 3-phenylphenol; dichloride Formula: C24H29Cl2OTi-2 MolecularWeight: 452.25946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10O.C9H13.C3H6.2ClH.Ti/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h1-9,13H;4,6H,5H2,1-3H3;1-2H3;2*1H;/q;-1;;;;+1/p-2