3,3-dimethylbut-1-yne; (2,3,4,5-tetramethylcyclopentyl)benzene; titanium(3+)

Systemtic Name: 3,3-dimethylbut-1-yne; (2,3,4,5-tetramethylcyclopentyl)benzene; titanium(3+) Openeye Name: 3,3-dimethylbut-1-yne; (2,3,4,5-tetramethylcyclopentyl)benzene; titanium(3+) CAS Name: 3,3-dimethyl-1-butyne; (2,3,4,5-tetramethylcyclopentyl)benzene; titanium(3+) IUPAC Name: 3,3-dimethylbut-1-yne; (2,3,4,5-tetramethylcyclopentyl)benzene; titanium(3+) Traditional Name: 3,3-dimethylbut-1-yne; (2,3,4,5-tetramethylcyclopentyl)benzene; titanium(3+) Formula: C36H53Ti+2 MolecularWeight: 533.67302

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C1C)C2=CC=CC=C2)C)C.CC1C(C(C(C1C)C2=CC=CC=C2)C)C.CC(C)(C)C#[C-].[Ti+3]

Isomeric SMILES

CC1C(C(C(C1C)C2=CC=CC=C2)C)C.CC1C(C(C(C1C)C2=CC=CC=C2)C)C.CC(C)(C)C#[C-].[Ti+3]

InChI

InChI=1S/2C15H22.C6H9.Ti/c2*1-10-11(2)13(4)15(12(10)3)14-8-6-5-7-9-14;1-5-6(2,3)4;/h2*5-13,15H,1-4H3;2-4H3;/q;;-1;+3