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

Systemtic Name: 2-tert-butyl-4-methyl-phenol; propan-2-ylidenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene; chloride Openeye Name: 2-tert-butyl-4-methyl-phenol; isopropylidenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene; chloride CAS Name: 2-tert-butyl-4-methylphenol; propan-2-ylidenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene; chloride IUPAC Name: 2-tert-butyl-4-methylphenol; propan-2-ylidenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene; chloride Traditional Name: 2-tert-butyl-4-methyl-phenol; isopropylidenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene; chloride Formula: C23H35ClOTi- MolecularWeight: 410.8434

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C11H16O.C9H13.C3H6.ClH.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;;/h5-7,12H,1-4H3;6H,1-4H3;1-2H3;1H;/q;-1;;;+1/p-1