chloranyltitanium(3+); cyclopentane; (2-methylphenyl)methanone

Systemtic Name: chloranyltitanium(3+); cyclopentane; (2-methylphenyl)methanone Openeye Name: chlorotitanium(3+); cyclopentane; o-tolylmethanone CAS Name: chlorotitanium(3+); cyclopentane; (2-methylphenyl)methanone IUPAC Name: chlorotitanium(3+); cyclopentane; (2-methylphenyl)methanone Traditional Name: chlorotitanium(3+); cyclopentane; o-tolylmethanone Formula: C18H17ClOTi+2 MolecularWeight: 332.64698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[C-]=O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.Cl[Ti+3]

Isomeric SMILES

CC1=CC=CC=C1[C-]=O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.Cl[Ti+3]

InChI

InChI=1S/C8H7O.2C5H5.ClH.Ti/c1-7-4-2-3-5-8(7)6-9;2*1-2-4-5-3-1;;/h2-5H,1H3;2*1-5H;1H;/q-1;;;;+4/p-1