4-fluoranylbenzoic acid; 1H-inden-1-ide; methylidenetitanium

Systemtic Name: 4-fluoranylbenzoic acid; 1H-inden-1-ide; methylidenetitanium Openeye Name: 4-fluorobenzoic acid; 1H-inden-1-ide; methylenetitanium CAS Name: 4-fluorobenzoic acid; 1H-inden-1-ide; methylenetitanium IUPAC Name: 4-fluorobenzoic acid; 1H-inden-1-ide; methylidenetitanium Traditional Name: 4-fluorobenzoic acid; 1H-inden-1-ide; methylenetitanium Formula: C33H26F2O4Ti-2 MolecularWeight: 572.420946

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Descriptors Computed from Structure

Canonical SMILES:

C=[Ti].[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.C1=CC(=CC=C1C(=O)O)F.C1=CC(=CC=C1C(=O)O)F

Isomeric SMILES

C=[Ti].[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.C1=CC(=CC=C1C(=O)O)F.C1=CC(=CC=C1C(=O)O)F

InChI

InChI=1S/2C9H7.2C7H5FO2.CH2.Ti/c2*1-2-5-9-7-3-6-8(9)4-1;2*8-6-3-1-5(2-4-6)7(9)10;;/h2*1-7H;2*1-4H,(H,9,10);1H2;/q2*-1;;;;