2-methoxyethyl 5-fluoranyl-2-oxidanyl-3-phenyl-benzoate; oxidanylidenevanadium; dodecahydrofluoride

Systemtic Name: 2-methoxyethyl 5-fluoranyl-2-oxidanyl-3-phenyl-benzoate; oxidanylidenevanadium; dodecahydrofluoride Openeye Name: 2-methoxyethyl 5-fluoro-2-hydroxy-3-phenyl-benzoate; oxovanadium; dodecahydrofluoride CAS Name: 5-fluoro-2-hydroxy-3-phenylbenzoic acid 2-methoxyethyl ester; oxovanadium; dodecahydrofluoride IUPAC Name: 2-methoxyethyl 5-fluoro-2-hydroxy-3-phenylbenzoate; oxovanadium; dodecahydrofluoride Traditional Name: 5-fluoro-2-hydroxy-3-phenyl-benzoic acid 2-methoxyethyl ester; ketovanadium; dodecahydrofluoride Formula: C64H72F16O17V MolecularWeight: 1468.162231

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C1=C(C(=CC(=C1)F)C2=CC=CC=C2)O.COCCOC(=O)C1=C(C(=CC(=C1)F)C2=CC=CC=C2)O.COCCOC(=O)C1=C(C(=CC(=C1)F)C2=CC=CC=C2)O.COCCOC(=O)C1=C(C(=CC(=C1)F)C2=CC=CC=C2)O.O=[V].F.F.F.F.F.F.F.F.F.F.F.F

Isomeric SMILES

COCCOC(=O)C1=C(C(=CC(=C1)F)C2=CC=CC=C2)O.COCCOC(=O)C1=C(C(=CC(=C1)F)C2=CC=CC=C2)O.COCCOC(=O)C1=C(C(=CC(=C1)F)C2=CC=CC=C2)O.COCCOC(=O)C1=C(C(=CC(=C1)F)C2=CC=CC=C2)O.O=[V].F.F.F.F.F.F.F.F.F.F.F.F

InChI

InChI=1S/4C16H15FO4.12FH.O.V/c4*1-20-7-8-21-16(19)14-10-12(17)9-13(15(14)18)11-5-3-2-4-6-11;;;;;;;;;;;;;;/h4*2-6,9-10,18H,7-8H2,1H3;12*1H;;