(8,8-dimethyl-3-nitro-7H-naphthalen-1-yl) tris(fluoranyl)methanesulfonate

Systemtic Name: (8,8-dimethyl-3-nitro-7H-naphthalen-1-yl) tris(fluoranyl)methanesulfonate Openeye Name: (8,8-dimethyl-3-nitro-7H-naphthalen-1-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (8,8-dimethyl-3-nitro-7H-naphthalen-1-yl) ester IUPAC Name: (8,8-dimethyl-3-nitro-7H-naphthalen-1-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (8,8-dimethyl-3-nitro-7H-naphthalen-1-yl) ester Formula: C13H12F3NO5S MolecularWeight: 351.29829

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=CC2=CC(=CC(=C21)OS(=O)(=O)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC=CC2=CC(=CC(=C21)OS(=O)(=O)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C13H12F3NO5S/c1-12(2)5-3-4-8-6-9(17(18)19)7-10(11(8)12)22-23(20,21)13(14,15)16/h3-4,6-7H,5H2,1-2H3