1-ethynyl-4-methyl-benzene; 1,2,3,4,5-pentamethylcyclopentane; titanium(3+); hydrate

Systemtic Name: 1-ethynyl-4-methyl-benzene; 1,2,3,4,5-pentamethylcyclopentane; titanium(3+); hydrate Openeye Name: 1-ethynyl-4-methyl-benzene; 1,2,3,4,5-pentamethylcyclopentane; titanium(3+); hydrate CAS Name: 1-ethynyl-4-methylbenzene; 1,2,3,4,5-pentamethylcyclopentane; titanium(3+); hydrate IUPAC Name: 1-ethynyl-4-methylbenzene; 1,2,3,4,5-pentamethylcyclopentane; titanium(3+); hydrate Traditional Name: 1-ethynyl-4-methyl-benzene; 1,2,3,4,5-pentamethylcyclopentane; titanium(3+); hydrate Formula: C29H39OTi+2 MolecularWeight: 451.48636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#[C-].C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.O.[Ti+3]

Isomeric SMILES

CC1=CC=C(C=C1)C#[C-].C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.O.[Ti+3]

InChI

InChI=1S/2C10H15.C9H7.H2O.Ti/c2*1-6-7(2)9(4)10(5)8(6)3;1-3-9-6-4-8(2)5-7-9;;/h2*1-5H3;4-7H,2H3;1H2;/q;;-1;;+3