4-fluoranylbenzoic acid; methanolate; 2,3,4,5,6,7,8,9-octahydro-1H-fluoren-9-ide; titanium(2+)

Systemtic Name: 4-fluoranylbenzoic acid; methanolate; 2,3,4,5,6,7,8,9-octahydro-1H-fluoren-9-ide; titanium(2+) Openeye Name: 4-fluorobenzoic acid; methanolate; 2,3,4,5,6,7,8,9-octahydro-1H-fluoren-9-ide; titanium(2+) CAS Name: 4-fluorobenzoic acid; methanolate; 2,3,4,5,6,7,8,9-octahydro-1H-fluoren-9-ide; titanium(2+) IUPAC Name: 4-fluorobenzoic acid; methanolate; 2,3,4,5,6,7,8,9-octahydro-1H-fluoren-9-ide; titanium(2+) Traditional Name: 4-fluorobenzoic acid; methanolate; 2,3,4,5,6,7,8,9-octahydro-1H-fluoren-9-ide; titanium(2+) Formula: C28H30F2O5Ti MolecularWeight: 532.398606

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Descriptors Computed from Structure

Canonical SMILES:

C[O-].C1CCC2=C(C1)[CH-]C3=C2CCCC3.C1=CC(=CC=C1C(=O)O)F.C1=CC(=CC=C1C(=O)O)F.[Ti+2]

Isomeric SMILES

C[O-].C1CCC2=C(C1)[CH-]C3=C2CCCC3.C1=CC(=CC=C1C(=O)O)F.C1=CC(=CC=C1C(=O)O)F.[Ti+2]

InChI

InChI=1S/C13H17.2C7H5FO2.CH3O.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*8-6-3-1-5(2-4-6)7(9)10;1-2;/h9H,1-8H2;2*1-4H,(H,9,10);1H3;/q-1;;;-1;+2