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

Systemtic Name: 2-tert-butylcyclopenta-1,3-diene; 2,3-dimethylphenol; propan-2-ylidenetitanium(1+); dichloride Openeye Name: 2-tert-butylcyclopenta-1,3-diene; 2,3-dimethylphenol; isopropylidenetitanium(1+); dichloride CAS Name: 2-tert-butylcyclopenta-1,3-diene; 2,3-dimethylphenol; propan-2-ylidenetitanium(1+); dichloride IUPAC Name: 2-tert-butylcyclopenta-1,3-diene; 2,3-dimethylphenol; propan-2-ylidenetitanium(1+); dichloride Traditional Name: 2-tert-butylcyclopenta-1,3-diene; isopropylidenetitanium(1+); 2,3-xylenol; dichloride Formula: C20H29Cl2OTi-2 MolecularWeight: 404.21666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13.C8H10O.C3H6.2ClH.Ti/c1-9(2,3)8-6-4-5-7-8;1-6-4-3-5-8(9)7(6)2;1-3-2;;;/h4,6H,5H2,1-3H3;3-5,9H,1-2H3;1-2H3;2*1H;/q-1;;;;;+1/p-2