(4,4-dimethyl-7-nitro-3H-naphthalen-1-yl) tris(fluoranyl)methanesulfonate

Systemtic Name: (4,4-dimethyl-7-nitro-3H-naphthalen-1-yl) tris(fluoranyl)methanesulfonate Openeye Name: (4,4-dimethyl-7-nitro-3H-naphthalen-1-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (4,4-dimethyl-7-nitro-3H-naphthalen-1-yl) ester IUPAC Name: (4,4-dimethyl-7-nitro-3H-naphthalen-1-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (4,4-dimethyl-7-nitro-3H-naphthalen-1-yl) ester Formula: C13H12F3NO5S MolecularWeight: 351.29829

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F)C

InChI

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