3-tert-butylphenol; propan-2-ylidenetitanium(1+); 1,2,3-trimethylcyclopenta-1,3-diene; dichloride

Systemtic Name: 3-tert-butylphenol; propan-2-ylidenetitanium(1+); 1,2,3-trimethylcyclopenta-1,3-diene; dichloride Openeye Name: 3-tert-butylphenol; isopropylidenetitanium(1+); 1,2,3-trimethylcyclopenta-1,3-diene; dichloride CAS Name: 3-tert-butylphenol; propan-2-ylidenetitanium(1+); 1,2,3-trimethylcyclopenta-1,3-diene; dichloride IUPAC Name: 3-tert-butylphenol; propan-2-ylidenetitanium(1+); 1,2,3-trimethylcyclopenta-1,3-diene; dichloride Traditional Name: 3-tert-butylphenol; isopropylidenetitanium(1+); 1,2,3-trimethylcyclopenta-1,3-diene; dichloride Formula: C21H31Cl2OTi-2 MolecularWeight: 418.24324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[C-]C1)C)C.CC(=[Ti+])C.CC(C)(C)C1=CC(=CC=C1)O.[Cl-].[Cl-]

Isomeric SMILES

CC1=C(C(=[C-]C1)C)C.CC(=[Ti+])C.CC(C)(C)C1=CC(=CC=C1)O.[Cl-].[Cl-]

InChI

InChI=1S/C10H14O.C8H11.C3H6.2ClH.Ti/c1-10(2,3)8-5-4-6-9(11)7-8;1-6-4-5-7(2)8(6)3;1-3-2;;;/h4-7,11H,1-3H3;4H2,1-3H3;1-2H3;2*1H;/q;-1;;;;+1/p-2