cyclopentane; 3,3-dimethylbut-1-yne; platinum; titanium(3+); triphenylphosphane

Systemtic Name: cyclopentane; 3,3-dimethylbut-1-yne; platinum; titanium(3+); triphenylphosphane Openeye Name: cyclopentane; 3,3-dimethylbut-1-yne; platinum; titanium(3+); triphenylphosphane CAS Name: cyclopentane; 3,3-dimethyl-1-butyne; platinum; titanium(3+); triphenylphosphine IUPAC Name: cyclopentane; 3,3-dimethylbut-1-yne; platinum; titanium(3+); triphenylphosphane Traditional Name: cyclopentane; 3,3-dimethylbut-1-yne; platinum; titanium(3+); triphenylphosphine Formula: C40H43PPtTi+ MolecularWeight: 797.688181

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#[C-].CC(C)(C)C#[C-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+3].[Pt]

Isomeric SMILES

CC(C)(C)C#[C-].CC(C)(C)C#[C-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+3].[Pt]

InChI

InChI=1S/C18H15P.2C6H9.2C5H5.Pt.Ti/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-5-6(2,3)4;2*1-2-4-5-3-1;;/h1-15H;2*2-4H3;2*1-5H;;/q;2*-1;;;;+3