3-tert-butyl-5-methyl-phenol; cyclopenta-1,3-diene; propan-2-ylidenetitanium; dichloride

Systemtic Name: 3-tert-butyl-5-methyl-phenol; cyclopenta-1,3-diene; propan-2-ylidenetitanium; dichloride Openeye Name: 3-tert-butyl-5-methyl-phenol; cyclopenta-1,3-diene; isopropylidenetitanium; dichloride CAS Name: 3-tert-butyl-5-methylphenol; cyclopenta-1,3-diene; propan-2-ylidenetitanium; dichloride IUPAC Name: 3-tert-butyl-5-methylphenol; cyclopenta-1,3-diene; propan-2-ylidenetitanium; dichloride Traditional Name: 3-tert-butyl-5-methyl-phenol; cyclopenta-1,3-diene; isopropylidenetitanium; dichloride Formula: C24H32Cl2OTi-4 MolecularWeight: 455.28328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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