4-fluoranylbenzoic acid; 2-methylcyclopenta-1,3-diene; titanium

Systemtic Name: 4-fluoranylbenzoic acid; 2-methylcyclopenta-1,3-diene; titanium Openeye Name: 4-fluorobenzoic acid; 2-methylcyclopenta-1,3-diene; titanium CAS Name: 4-fluorobenzoic acid; 2-methylcyclopenta-1,3-diene; titanium IUPAC Name: 4-fluorobenzoic acid; 2-methylcyclopenta-1,3-diene; titanium Traditional Name: 4-fluorobenzoic acid; 2-methylcyclopenta-1,3-diene; titanium Formula: C27H22F3O6Ti- MolecularWeight: 547.32219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]CC=C1.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-]CC=C1.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/3C7H5FO2.C6H7.Ti/c3*8-6-3-1-5(2-4-6)7(9)10;1-6-4-2-3-5-6;/h3*1-4H,(H,9,10);2,4H,3H2,1H3;/q;;;-1;