chloranyltitanium(1+); cyclopentane; pent-1-ynylbenzene

Systemtic Name: chloranyltitanium(1+); cyclopentane; pent-1-ynylbenzene Openeye Name: chlorotitanium(1+); cyclopentane; pent-1-ynylbenzene CAS Name: chlorotitanium(1+); cyclopentane; pent-1-ynylbenzene IUPAC Name: chlorotitanium(1+); cyclopentane; pent-1-ynylbenzene Traditional Name: chlorotitanium(1+); cyclopentane; pent-1-ynylbenzene Formula: C21H21ClTi MolecularWeight: 356.71144

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-]CCC#CC1=CC=CC=C1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.Cl[Ti+]

Isomeric SMILES

[CH2-]CCC#CC1=CC=CC=C1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.Cl[Ti+]

InChI

InChI=1S/C11H11.2C5H5.ClH.Ti/c1-2-3-5-8-11-9-6-4-7-10-11;2*1-2-4-5-3-1;;/h4,6-7,9-10H,1-3H2;2*1-5H;1H;/q-1;;;;+2/p-1