3-tert-butyl-5-methyl-phenol; cyclopenta-1,4-dien-1-ylbenzene; propan-2-ylidenetitanium(1+); dichloride

Systemtic Name: 3-tert-butyl-5-methyl-phenol; cyclopenta-1,4-dien-1-ylbenzene; propan-2-ylidenetitanium(1+); dichloride Openeye Name: 3-tert-butyl-5-methyl-phenol; cyclopenta-1,4-dien-1-ylbenzene; isopropylidenetitanium(1+); dichloride CAS Name: 3-tert-butyl-5-methylphenol; 1-cyclopenta-1,4-dienylbenzene; propan-2-ylidenetitanium(1+); dichloride IUPAC Name: 3-tert-butyl-5-methylphenol; cyclopenta-1,4-dien-1-ylbenzene; propan-2-ylidenetitanium(1+); dichloride Traditional Name: 3-tert-butyl-5-methyl-phenol; cyclopenta-1,4-dien-1-ylbenzene; isopropylidenetitanium(1+); dichloride Formula: C25H31Cl2OTi-2 MolecularWeight: 466.28604

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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)C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC(=CC(=C1)O)C(C)(C)C.CC(=[Ti+])C.C1C=CC(=[C-]1)C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C11H16O.C11H9.C3H6.2ClH.Ti/c1-8-5-9(11(2,3)4)7-10(12)6-8;1-2-6-10(7-3-1)11-8-4-5-9-11;1-3-2;;;/h5-7,12H,1-4H3;1-4,6-8H,5H2;1-2H3;2*1H;/q;-1;;;;+1/p-2