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

Systemtic Name: 2-tert-butyl-4-methyl-phenol; cyclopenta-1,3-diene; methanolate; propan-2-ylidenetitanium(1+) Openeye Name: 2-tert-butyl-4-methyl-phenol; cyclopenta-1,3-diene; isopropylidenetitanium(1+); methanolate CAS Name: 2-tert-butyl-4-methylphenol; cyclopenta-1,3-diene; methanolate; propan-2-ylidenetitanium(1+) IUPAC Name: 2-tert-butyl-4-methylphenol; cyclopenta-1,3-diene; methanolate; propan-2-ylidenetitanium(1+) Traditional Name: 2-tert-butyl-4-methyl-phenol; cyclopenta-1,3-diene; isopropylidenetitanium(1+); methanolate Formula: C21H33O3Ti-2 MolecularWeight: 381.35192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(C)(C)C.CC(=[Ti+])C.C[O-].C[O-].C1C=CC=[C-]1

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(C)(C)C.CC(=[Ti+])C.C[O-].C[O-].C1C=CC=[C-]1

InChI

InChI=1S/C11H16O.C5H5.C3H6.2CH3O.Ti/c1-8-5-6-10(12)9(7-8)11(2,3)4;1-2-4-5-3-1;1-3-2;2*1-2;/h5-7,12H,1-4H3;1-3H,4H2;1-2H3;2*1H3;/q;-1;;2*-1;+1