2-butylcyclopenta-1,3-diene; 4-methyl-2-phenyl-phenol; titanium(3+); dichloride

Systemtic Name: 2-butylcyclopenta-1,3-diene; 4-methyl-2-phenyl-phenol; titanium(3+); dichloride Openeye Name: 2-butylcyclopenta-1,3-diene; 4-methyl-2-phenyl-phenol; titanium(3+); dichloride CAS Name: 2-butylcyclopenta-1,3-diene; 4-methyl-2-phenylphenol; titanium(3+); dichloride IUPAC Name: 2-butylcyclopenta-1,3-diene; 4-methyl-2-phenylphenol; titanium(3+); dichloride Traditional Name: 2-butylcyclopenta-1,3-diene; 4-methyl-2-phenyl-phenol; titanium(3+); dichloride Formula: C22H25Cl2OTi MolecularWeight: 424.2063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[C-]CC=C1.CC1=CC(=C(C=C1)O)C2=CC=CC=C2.[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

CCCCC1=[C-]CC=C1.CC1=CC(=C(C=C1)O)C2=CC=CC=C2.[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C13H12O.C9H13.2ClH.Ti/c1-10-7-8-13(14)12(9-10)11-5-3-2-4-6-11;1-2-3-6-9-7-4-5-8-9;;;/h2-9,14H,1H3;4,7H,2-3,5-6H2,1H3;2*1H;/q;-1;;;+3/p-2