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

Systemtic Name: 4-fluoranylbenzoic acid; methanolate; 9-methyl-2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium(3+) Openeye Name: 4-fluorobenzoic acid; methanolate; 9-methyl-2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium(3+) CAS Name: 4-fluorobenzoic acid; methanolate; 9-methyl-2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium(3+) IUPAC Name: 4-fluorobenzoic acid; methanolate; 9-methyl-2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium(3+) Traditional Name: 4-fluorobenzoic acid; methanolate; 9-methyl-2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium(3+) Formula: C23H30FO4Ti MolecularWeight: 437.347303

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CCCC2)C3=C1[CH-]CCC3.C[O-].C[O-].C1=CC(=CC=C1C(=O)O)F.[Ti+3]

Isomeric SMILES

CC1C2=C(CCCC2)C3=C1[CH-]CCC3.C[O-].C[O-].C1=CC(=CC=C1C(=O)O)F.[Ti+3]

InChI

InChI=1S/C14H19.C7H5FO2.2CH3O.Ti/c1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14;8-6-3-1-5(2-4-6)7(9)10;2*1-2;/h6,10H,2-5,7-9H2,1H3;1-4H,(H,9,10);2*1H3;/q-1;;2*-1;+3