methanolate; phenol; propan-2-ylidenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene

Systemtic Name: methanolate; phenol; propan-2-ylidenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene Openeye Name: isopropylidenetitanium(1+); methanolate; phenol; 1,2,3,5-tetramethylcyclopenta-1,3-diene CAS Name: methanolate; phenol; propan-2-ylidenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene IUPAC Name: methanolate; phenol; propan-2-ylidenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene Traditional Name: isopropylidenetitanium(1+); methanolate; phenol; 1,2,3,5-tetramethylcyclopenta-1,3-diene Formula: C19H28O2Ti- MolecularWeight: 336.29142

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Descriptors Computed from Structure

Canonical SMILES:

CC1[C-]=C(C(=C1C)C)C.CC(=[Ti+])C.C[O-].C1=CC=C(C=C1)O

Isomeric SMILES

CC1[C-]=C(C(=C1C)C)C.CC(=[Ti+])C.C[O-].C1=CC=C(C=C1)O

InChI

InChI=1S/C9H13.C6H6O.C3H6.CH3O.Ti/c1-6-5-7(2)9(4)8(6)3;7-6-4-2-1-3-5-6;1-3-2;1-2;/h6H,1-4H3;1-5,7H;1-2H3;1H3;/q-1;;;-1;+1