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

Systemtic Name: cyclopenta-1,3-diene; methanolate; phenol; propan-2-ylidenetitanium(1+) Openeye Name: cyclopenta-1,3-diene; isopropylidenetitanium(1+); methanolate; phenol CAS Name: cyclopenta-1,3-diene; methanolate; phenol; propan-2-ylidenetitanium(1+) IUPAC Name: cyclopenta-1,3-diene; methanolate; phenol; propan-2-ylidenetitanium(1+) Traditional Name: cyclopenta-1,3-diene; isopropylidenetitanium(1+); methanolate; phenol Formula: C15H20O2Ti- MolecularWeight: 280.1851

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Ti+])C.C[O-].C1C=CC=[C-]1.C1=CC=C(C=C1)O

Isomeric SMILES

CC(=[Ti+])C.C[O-].C1C=CC=[C-]1.C1=CC=C(C=C1)O

InChI

InChI=1S/C6H6O.C5H5.C3H6.CH3O.Ti/c7-6-4-2-1-3-5-6;1-2-4-5-3-1;1-3-2;1-2;/h1-5,7H;1-3H,4H2;1-2H3;1H3;/q;-1;;-1;+1