benzene; 3-tert-butyl-5-methyl-phenol; methylidenetitanium; 1,2,3,5-tetramethylcyclopenta-1,3-diene; dichloride

Systemtic Name: benzene; 3-tert-butyl-5-methyl-phenol; methylidenetitanium; 1,2,3,5-tetramethylcyclopenta-1,3-diene; dichloride Openeye Name: benzene; 3-tert-butyl-5-methyl-phenol; methylenetitanium; 1,2,3,5-tetramethylcyclopenta-1,3-diene; dichloride CAS Name: benzene; 3-tert-butyl-5-methylphenol; methylenetitanium; 1,2,3,5-tetramethylcyclopenta-1,3-diene; dichloride IUPAC Name: benzene; 3-tert-butyl-5-methylphenol; methylidenetitanium; 1,2,3,5-tetramethylcyclopenta-1,3-diene; dichloride Traditional Name: benzene; 3-tert-butyl-5-methyl-phenol; methylenetitanium; 1,2,3,5-tetramethylcyclopenta-1,3-diene; dichloride Formula: C33H41Cl2OTi-5 MolecularWeight: 572.45104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16O.C9H13.2C6H5.CH2.2ClH.Ti/c1-8-5-9(11(2,3)4)7-10(12)6-8;1-6-5-7(2)9(4)8(6)3;2*1-2-4-6-5-3-1;;;;/h5-7,12H,1-4H3;6H,1-4H3;2*1-5H;1H2;2*1H;/q;3*-1;;;;/p-2