2-butylcyclopenta-1,3-diene; 2,4-dipentylphenol; titanium(3+); dichloride

Systemtic Name: 2-butylcyclopenta-1,3-diene; 2,4-dipentylphenol; titanium(3+); dichloride Openeye Name: 2-butylcyclopenta-1,3-diene; 2,4-dipentylphenol; titanium(3+); dichloride CAS Name: 2-butylcyclopenta-1,3-diene; 2,4-dipentylphenol; titanium(3+); dichloride IUPAC Name: 2-butylcyclopenta-1,3-diene; 2,4-dipentylphenol; titanium(3+); dichloride Traditional Name: 2-butylcyclopenta-1,3-diene; 2,4-diamylphenol; titanium(3+); dichloride Formula: C25H39Cl2OTi MolecularWeight: 474.34956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)O)CCCCC.CCCCC1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)O)CCCCC.CCCCC1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C16H26O.C9H13.2ClH.Ti/c1-3-5-7-9-14-11-12-16(17)15(13-14)10-8-6-4-2;1-2-3-6-9-7-4-5-8-9;;;/h11-13,17H,3-10H2,1-2H3;4,7H,2-3,5-6H2,1H3;2*1H;/q;-1;;;+3/p-2