cyclooctatetraene; titanium(2+)

Systemtic Name: cyclooctatetraene; titanium(2+) Openeye Name: cyclooctatetraene; titanium(2+) CAS Name: cyclooctatetraene; titanium(2+) IUPAC Name: cyclooctatetraene; titanium(2+) Traditional Name: cyclooctatetraene; titanium(2+) Formula: C24H24Ti2+4 MolecularWeight: 408.18136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=CC=CC=C1.C1=CC=CC=CC=C1.C1=CC=CC=CC=C1.[Ti+2].[Ti+2]

Isomeric SMILES

C\1=C\C=C/C=C\C=C1.C\1=C\C=C/C=C\C=C1.C\1=C\C=C/C=C\C=C1.[Ti+2].[Ti+2]

InChI

InChI=1S/3C8H8.2Ti/c3*1-2-4-6-8-7-5-3-1;;/h3*1-8H;;/q;;;2*+2/b3*2-1-,3-1?,4-2?,5-3-,6-4-,7-5?,8-6?,8-7-;;