2-butylcyclopenta-1,3-diene; 2-[2-(dimethylaminomethyl)phenyl]propan-2-olate; titanium(4+)

Systemtic Name: 2-butylcyclopenta-1,3-diene; 2-[2-(dimethylaminomethyl)phenyl]propan-2-olate; titanium(4+) Openeye Name: 2-butylcyclopenta-1,3-diene; 2-[2-(dimethylaminomethyl)phenyl]propan-2-olate; titanium(4+) CAS Name: 2-butylcyclopenta-1,3-diene; 2-[2-(dimethylaminomethyl)phenyl]-2-propanolate; titanium(4+) IUPAC Name: 2-butylcyclopenta-1,3-diene; 2-[2-(dimethylaminomethyl)phenyl]propan-2-olate; titanium(4+) Traditional Name: 2-butylcyclopenta-1,3-diene; 2-[2-(dimethylaminomethyl)phenyl]propan-2-olate; titanium(4+) Formula: C45H67N3O3Ti MolecularWeight: 745.89878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[C-]CC=C1.CC(C)(C1=CC=CC=C1CN(C)C)[O-].CC(C)(C1=CC=CC=C1CN(C)C)[O-].CC(C)(C1=CC=CC=C1CN(C)C)[O-].[Ti+4]

Isomeric SMILES

CCCCC1=[C-]CC=C1.CC(C)(C1=CC=CC=C1CN(C)C)[O-].CC(C)(C1=CC=CC=C1CN(C)C)[O-].CC(C)(C1=CC=CC=C1CN(C)C)[O-].[Ti+4]

InChI

InChI=1S/3C12H18NO.C9H13.Ti/c3*1-12(2,14)11-8-6-5-7-10(11)9-13(3)4;1-2-3-6-9-7-4-5-8-9;/h3*5-8H,9H2,1-4H3;4,7H,2-3,5-6H2,1H3;/q4*-1;+4