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

Systemtic Name: 3-tert-butyl-5-methyl-phenol; 2-methylcyclopenta-1,3-diene; propan-2-ylidenetitanium(1+); chloride Openeye Name: 3-tert-butyl-5-methyl-phenol; isopropylidenetitanium(1+); 2-methylcyclopenta-1,3-diene; chloride CAS Name: 3-tert-butyl-5-methylphenol; 2-methylcyclopenta-1,3-diene; propan-2-ylidenetitanium(1+); chloride IUPAC Name: 3-tert-butyl-5-methylphenol; 2-methylcyclopenta-1,3-diene; propan-2-ylidenetitanium(1+); chloride Traditional Name: 3-tert-butyl-5-methyl-phenol; isopropylidenetitanium(1+); 2-methylcyclopenta-1,3-diene; chloride Formula: C20H29ClOTi- MolecularWeight: 368.76366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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