1,9-dihydrofluoren-1-ide; 4-fluoranylbenzoic acid; methylidenetitanium

Systemtic Name: 1,9-dihydrofluoren-1-ide; 4-fluoranylbenzoic acid; methylidenetitanium Openeye Name: 1,9-dihydrofluoren-1-ide; 4-fluorobenzoic acid; methylenetitanium CAS Name: 1,9-dihydrofluoren-1-ide; 4-fluorobenzoic acid; methylenetitanium IUPAC Name: 1,9-dihydrofluoren-1-ide; 4-fluorobenzoic acid; methylidenetitanium Traditional Name: 1,9-dihydrofluoren-1-ide; 4-fluorobenzoic acid; methylenetitanium Formula: C41H30F2O4Ti-2 MolecularWeight: 672.538306

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Descriptors Computed from Structure

Canonical SMILES:

C=[Ti].C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1=CC(=CC=C1C(=O)O)F.C1=CC(=CC=C1C(=O)O)F

Isomeric SMILES

C=[Ti].C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1=CC(=CC=C1C(=O)O)F.C1=CC(=CC=C1C(=O)O)F

InChI

InChI=1S/2C13H9.2C7H5FO2.CH2.Ti/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*8-6-3-1-5(2-4-6)7(9)10;;/h2*1-5,7-8H,9H2;2*1-4H,(H,9,10);1H2;/q2*-1;;;;