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

Systemtic Name: 2,3-dimethylcyclopenta-1,3-diene; 4-fluoranylbenzoic acid; titanium Openeye Name: 2,3-dimethylcyclopenta-1,3-diene; 4-fluorobenzoic acid; titanium CAS Name: 2,3-dimethylcyclopenta-1,3-diene; 4-fluorobenzoic acid; titanium IUPAC Name: 2,3-dimethylcyclopenta-1,3-diene; 4-fluorobenzoic acid; titanium Traditional Name: 2,3-dimethylcyclopenta-1,3-diene; 4-fluorobenzoic acid; titanium Formula: C28H24F3O6Ti- MolecularWeight: 561.34877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC[C-]=C1C.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=CC[C-]=C1C.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.C7H9.Ti/c3*8-6-3-1-5(2-4-6)7(9)10;1-6-4-3-5-7(6)2;/h3*1-4H,(H,9,10);4H,3H2,1-2H3;/q;;;-1;