4-fluoranylbenzoic acid; 9-methyl-2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium

Systemtic Name: 4-fluoranylbenzoic acid; 9-methyl-2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium Openeye Name: 4-fluorobenzoic acid; 9-methyl-2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium CAS Name: 4-fluorobenzoic acid; 9-methyl-2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium IUPAC Name: 4-fluorobenzoic acid; 9-methyl-2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium Traditional Name: 4-fluorobenzoic acid; 9-methyl-2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium Formula: C35H34F3O6Ti- MolecularWeight: 655.50307

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CCCC2)C3=C1[CH-]CCC3.C1=CC(=CC=C1C(=O)O)F.C1=CC(=CC=C1C(=O)O)F.C1=CC(=CC=C1C(=O)O)F.[Ti]

Isomeric SMILES

CC1C2=C(CCCC2)C3=C1[CH-]CCC3.C1=CC(=CC=C1C(=O)O)F.C1=CC(=CC=C1C(=O)O)F.C1=CC(=CC=C1C(=O)O)F.[Ti]

InChI

InChI=1S/C14H19.3C7H5FO2.Ti/c1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14;3*8-6-3-1-5(2-4-6)7(9)10;/h6,10H,2-5,7-9H2,1H3;3*1-4H,(H,9,10);/q-1;;;;