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

Systemtic Name: cyclopenta-1,3-diene; methanal; titanium(2+) Openeye Name: cyclopenta-1,3-diene; formaldehyde; titanium(2+) CAS Name: cyclopenta-1,3-diene; formaldehyde; titanium(2+) IUPAC Name: cyclopenta-1,3-diene; formaldehyde; titanium(2+) Traditional Name: cyclopenta-1,3-diene; formaldehyde; titanium(2+) Formula: C12H14O2Ti MolecularWeight: 238.10536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C5H5.2CH2O.Ti/c2*1-2-4-5-3-1;2*1-2;/h2*1-3H,4H2;2*1H2;/q2*-1;;;+2