[5-[1,1,2,2,3,3,3-heptakis(fluoranyl)propyl]furan-2-yl] 3-nitrobenzenesulfonate

Systemtic Name: [5-[1,1,2,2,3,3,3-heptakis(fluoranyl)propyl]furan-2-yl] 3-nitrobenzenesulfonate Openeye Name: [5-(1,1,2,2,3,3,3-heptafluoropropyl)-2-furyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [5-(1,1,2,2,3,3,3-heptafluoropropyl)-2-furanyl] ester IUPAC Name: [5-(1,1,2,2,3,3,3-heptafluoropropyl)furan-2-yl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [5-(1,1,2,2,3,3,3-heptafluoropropyl)-2-furyl] ester Formula: C13H6F7NO6S MolecularWeight: 437.243662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(O2)C(C(C(F)(F)F)(F)F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(O2)C(C(C(F)(F)F)(F)F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H6F7NO6S/c14-11(15,12(16,17)13(18,19)20)9-4-5-10(26-9)27-28(24,25)8-3-1-2-7(6-8)21(22)23/h1-6H