2-methylcyclopenta-1,3-diene; phenol; propan-2-ylidenetitanium(1+)

Systemtic Name: 2-methylcyclopenta-1,3-diene; phenol; propan-2-ylidenetitanium(1+) Openeye Name: isopropylidenetitanium(1+); 2-methylcyclopenta-1,3-diene; phenol CAS Name: 2-methylcyclopenta-1,3-diene; phenol; propan-2-ylidenetitanium(1+) IUPAC Name: 2-methylcyclopenta-1,3-diene; phenol; propan-2-ylidenetitanium(1+) Traditional Name: isopropylidenetitanium(1+); 2-methylcyclopenta-1,3-diene; phenol Formula: C15H19OTi MolecularWeight: 263.17776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6O.C6H7.C3H6.Ti/c7-6-4-2-1-3-5-6;1-6-4-2-3-5-6;1-3-2;/h1-5,7H;2,4H,3H2,1H3;1-2H3;/q;-1;;+1