2-fluoranylbenzenesulfonate; gadolinium(3+)

Systemtic Name: 2-fluoranylbenzenesulfonate; gadolinium(3+) Openeye Name: 2-fluorobenzenesulfonate; gadolinium(3+) CAS Name: 2-fluorobenzenesulfonate; gadolinium(3+) IUPAC Name: 2-fluorobenzenesulfonate; gadolinium(3+) Traditional Name: 2-fluorobesylate; gadolinium(3+) Formula: C18H12F3GdO9S3 MolecularWeight: 682.72269

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)F)S(=O)(=O)[O-].C1=CC=C(C(=C1)F)S(=O)(=O)[O-].C1=CC=C(C(=C1)F)S(=O)(=O)[O-].[Gd+3]

Isomeric SMILES

C1=CC=C(C(=C1)F)S(=O)(=O)[O-].C1=CC=C(C(=C1)F)S(=O)(=O)[O-].C1=CC=C(C(=C1)F)S(=O)(=O)[O-].[Gd+3]

InChI

InChI=1S/3C6H5FO3S.Gd/c3*7-5-3-1-2-4-6(5)11(8,9)10;/h3*1-4H,(H,8,9,10);/q;;;+3/p-3