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

Systemtic Name: 2-tert-butyl-4-methyl-phenol; methanolate; 2-methylcyclopenta-1,3-diene; propan-2-ylidenetitanium(1+) Openeye Name: 2-tert-butyl-4-methyl-phenol; isopropylidenetitanium(1+); methanolate; 2-methylcyclopenta-1,3-diene CAS Name: 2-tert-butyl-4-methylphenol; methanolate; 2-methylcyclopenta-1,3-diene; propan-2-ylidenetitanium(1+) IUPAC Name: 2-tert-butyl-4-methylphenol; methanolate; 2-methylcyclopenta-1,3-diene; propan-2-ylidenetitanium(1+) Traditional Name: 2-tert-butyl-4-methyl-phenol; isopropylidenetitanium(1+); methanolate; 2-methylcyclopenta-1,3-diene Formula: C21H32O2Ti- MolecularWeight: 364.34458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16O.C6H7.C3H6.CH3O.Ti/c1-8-5-6-10(12)9(7-8)11(2,3)4;1-6-4-2-3-5-6;1-3-2;1-2;/h5-7,12H,1-4H3;2,4H,3H2,1H3;1-2H3;1H3;/q;-1;;-1;+1