2-methylcyclopenta-1,3-diene; phenol; titanium

Systemtic Name: 2-methylcyclopenta-1,3-diene; phenol; titanium Openeye Name: 2-methylcyclopenta-1,3-diene; phenol; titanium CAS Name: 2-methylcyclopenta-1,3-diene; phenol; titanium IUPAC Name: 2-methylcyclopenta-1,3-diene; phenol; titanium Traditional Name: 2-methylcyclopenta-1,3-diene; phenol; titanium Formula: C12H13OTi- MolecularWeight: 221.09802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]CC=C1.C1=CC=C(C=C1)O.[Ti]

Isomeric SMILES

CC1=[C-]CC=C1.C1=CC=C(C=C1)O.[Ti]

InChI

InChI=1S/C6H6O.C6H7.Ti/c7-6-4-2-1-3-5-6;1-6-4-2-3-5-6;/h1-5,7H;2,4H,3H2,1H3;/q;-1;