1,9-dihydrofluoren-1-ide; 4-fluoranylbenzoic acid; titanium(2+)

Systemtic Name: 1,9-dihydrofluoren-1-ide; 4-fluoranylbenzoic acid; titanium(2+) Openeye Name: 1,9-dihydrofluoren-1-ide; 4-fluorobenzoic acid; titanium(2+) CAS Name: 1,9-dihydrofluoren-1-ide; 4-fluorobenzoic acid; titanium(2+) IUPAC Name: 1,9-dihydrofluoren-1-ide; 4-fluorobenzoic acid; titanium(2+) Traditional Name: 1,9-dihydrofluoren-1-ide; 4-fluorobenzoic acid; titanium(2+) Formula: C40H28F2O4Ti MolecularWeight: 658.511726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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.[Ti+2]

Isomeric SMILES

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.[Ti+2]

InChI

InChI=1S/2C13H9.2C7H5FO2.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);/q2*-1;;;+2