cyclooctatetraene; cyclopenta-1,3-diene; titanium(2+)

Systemtic Name: cyclooctatetraene; cyclopenta-1,3-diene; titanium(2+) Openeye Name: cyclooctatetraene; cyclopenta-1,3-diene; titanium(2+) CAS Name: cyclooctatetraene; cyclopenta-1,3-diene; titanium(2+) IUPAC Name: cyclooctatetraene; cyclopenta-1,3-diene; titanium(2+) Traditional Name: cyclooctatetraene; cyclopenta-1,3-diene; titanium(2+) Formula: C13H13Ti+ MolecularWeight: 217.10932

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1=CC=CC=CC=C1.[Ti+2]

Isomeric SMILES

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

InChI

InChI=1S/C8H8.C5H5.Ti/c1-2-4-6-8-7-5-3-1;1-2-4-5-3-1;/h1-8H;1-3H,4H2;/q;-1;+2/b2-1-,3-1?,4-2?,5-3-,6-4-,7-5?,8-6?,8-7-;;