2-[(4-nitrophenyl)methyl-[1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butylsulfonyl]amino]ethanoic acid

Systemtic Name: 2-[(4-nitrophenyl)methyl-[1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butylsulfonyl]amino]ethanoic acid Openeye Name: 2-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetic acid CAS Name: 2-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetic acid IUPAC Name: 2-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetic acid Traditional Name: 2-[(4-nitrobenzyl)-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetic acid Formula: C13H9F9N2O6S MolecularWeight: 492.270989

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(CC(=O)O)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN(CC(=O)O)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H9F9N2O6S/c14-10(15,12(18,19)20)11(16,17)13(21,22)31(29,30)23(6-9(25)26)5-7-1-3-8(4-2-7)24(27)28/h1-4H,5-6H2,(H,25,26)