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: C13H12Ti MolecularWeight: 216.10138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7.C5H5.Ti/c1-2-4-6-8-7-5-3-1;1-2-4-5-3-1;/h1-7H;1-3H,4H2;/q2*-1;+2/b2-1-,3-1?,4-2?,5-3-,6-4-,7-5?;;