2-tert-butyl-4-methyl-phenol; methanolate; propan-2-ylidenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene

Systemtic Name: 2-tert-butyl-4-methyl-phenol; methanolate; propan-2-ylidenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene Openeye Name: 2-tert-butyl-4-methyl-phenol; isopropylidenetitanium(1+); methanolate; 1,2,3,5-tetramethylcyclopenta-1,3-diene CAS Name: 2-tert-butyl-4-methylphenol; methanolate; propan-2-ylidenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene IUPAC Name: 2-tert-butyl-4-methylphenol; methanolate; propan-2-ylidenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene Traditional Name: 2-tert-butyl-4-methyl-phenol; isopropylidenetitanium(1+); methanolate; 1,2,3,5-tetramethylcyclopenta-1,3-diene Formula: C24H38O2Ti- MolecularWeight: 406.42432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16O.C9H13.C3H6.CH3O.Ti/c1-8-5-6-10(12)9(7-8)11(2,3)4;1-6-5-7(2)9(4)8(6)3;1-3-2;1-2;/h5-7,12H,1-4H3;6H,1-4H3;1-2H3;1H3;/q;-1;;-1;+1