iodanyltitanium(3+); methylbenzene

Systemtic Name: iodanyltitanium(3+); methylbenzene Openeye Name: iodotitanium(3+); methylbenzene CAS Name: iodotitanium(3+); methylbenzene IUPAC Name: iodotitanium(3+); methylbenzene Traditional Name: iodotitanium(3+); methylbenzene Formula: C21H21ITi MolecularWeight: 448.16291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[C-]C=C1.CC1=CC=[C-]C=C1.CC1=CC=[C-]C=C1.[Ti+3]I

Isomeric SMILES

CC1=CC=[C-]C=C1.CC1=CC=[C-]C=C1.CC1=CC=[C-]C=C1.[Ti+3]I

InChI

InChI=1S/3C7H7.HI.Ti/c3*1-7-5-3-2-4-6-7;;/h3*3-6H,1H3;1H;/q3*-1;;+4/p-1