cyclopenta-1,3-diene; 4-fluoranylbenzoic acid; methylidenetitanium

Systemtic Name: cyclopenta-1,3-diene; 4-fluoranylbenzoic acid; methylidenetitanium Openeye Name: cyclopenta-1,3-diene; 4-fluorobenzoic acid; methylenetitanium CAS Name: cyclopenta-1,3-diene; 4-fluorobenzoic acid; methylenetitanium IUPAC Name: cyclopenta-1,3-diene; 4-fluorobenzoic acid; methylidenetitanium Traditional Name: cyclopenta-1,3-diene; 4-fluorobenzoic acid; methylenetitanium Formula: C25H22F2O4Ti-2 MolecularWeight: 472.303586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H5FO2.2C5H5.CH2.Ti/c2*8-6-3-1-5(2-4-6)7(9)10;2*1-2-4-5-3-1;;/h2*1-4H,(H,9,10);2*1-3H,4H2;1H2;/q;;2*-1;;