4-fluoranylbenzoic acid; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium

Systemtic Name: 4-fluoranylbenzoic acid; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium Openeye Name: 4-fluorobenzoic acid; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium CAS Name: 4-fluorobenzoic acid; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium IUPAC Name: 4-fluorobenzoic acid; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium Traditional Name: 4-fluorobenzoic acid; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium Formula: C30H28F3O6Ti- MolecularWeight: 589.40193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13.3C7H5FO2.Ti/c1-6-5-7(2)9(4)8(6)3;3*8-6-3-1-5(2-4-6)7(9)10;/h6H,1-4H3;3*1-4H,(H,9,10);/q-1;;;;