3-tert-butyl-5-methyl-phenol; 2,3-dimethylcyclopenta-1,3-diene; propan-2-ylidenetitanium(1+); dichloride

Systemtic Name: 3-tert-butyl-5-methyl-phenol; 2,3-dimethylcyclopenta-1,3-diene; propan-2-ylidenetitanium(1+); dichloride Openeye Name: 3-tert-butyl-5-methyl-phenol; 2,3-dimethylcyclopenta-1,3-diene; isopropylidenetitanium(1+); dichloride CAS Name: 3-tert-butyl-5-methylphenol; 2,3-dimethylcyclopenta-1,3-diene; propan-2-ylidenetitanium(1+); dichloride IUPAC Name: 3-tert-butyl-5-methylphenol; 2,3-dimethylcyclopenta-1,3-diene; propan-2-ylidenetitanium(1+); dichloride Traditional Name: 3-tert-butyl-5-methyl-phenol; 2,3-dimethylcyclopenta-1,3-diene; isopropylidenetitanium(1+); dichloride Formula: C21H31Cl2OTi-2 MolecularWeight: 418.24324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC[C-]=C1C.CC1=CC(=CC(=C1)O)C(C)(C)C.CC(=[Ti+])C.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC[C-]=C1C.CC1=CC(=CC(=C1)O)C(C)(C)C.CC(=[Ti+])C.[Cl-].[Cl-]

InChI

InChI=1S/C11H16O.C7H9.C3H6.2ClH.Ti/c1-8-5-9(11(2,3)4)7-10(12)6-8;1-6-4-3-5-7(6)2;1-3-2;;;/h5-7,12H,1-4H3;4H,3H2,1-2H3;1-2H3;2*1H;/q;-1;;;;+1/p-2