chloranyltitanium(1+); [(E)-2-isocyano-1-phenyl-3-phenylimino-but-1-enyl]-methyl-azanide

Systemtic Name: chloranyltitanium(1+); [(E)-2-isocyano-1-phenyl-3-phenylimino-but-1-enyl]-methyl-azanide Openeye Name: chlorotitanium(1+); [(E)-2-isocyano-1-phenyl-3-phenylimino-but-1-enyl]-methyl-azanide CAS Name: chlorotitanium(1+); [(E)-2-isocyano-1-phenyl-3-phenyliminobut-1-enyl]-methylazanide IUPAC Name: chlorotitanium(1+); [(E)-2-isocyano-1-phenyl-3-phenyliminobut-1-enyl]-methylazanide Traditional Name: chlorotitanium(1+); [(E)-2-isocyano-1-phenyl-3-phenylimino-but-1-enyl]-methyl-azanide Formula: C18H16ClN3Ti MolecularWeight: 357.65974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=CC=CC=C1)C(=C(C2=CC=CC=C2)[N-]C)[N+]#[C-].Cl[Ti+]

Isomeric SMILES

CC(=NC1=CC=CC=C1)/C(=C(/C2=CC=CC=C2)\[N-]C)/[N+]#[C-].Cl[Ti+]

InChI

InChI=1S/C18H16N3.ClH.Ti/c1-14(21-16-12-8-5-9-13-16)17(19-2)18(20-3)15-10-6-4-7-11-15;;/h4-13H,1,3H3;1H;/q-1;;+2/p-1/b18-17+,21-14?;;