[2-nitro-6-[1,1,2,2,3,3,4,4,5,5,6,6,6-tridecakis(fluoranyl)hexyl]phenyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2-nitro-6-[1,1,2,2,3,3,4,4,5,5,6,6,6-tridecakis(fluoranyl)hexyl]phenyl]methyl 4-methylbenzenesulfonate Openeye Name: [2-nitro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-nitro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methyl ester IUPAC Name: [2-nitro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-nitro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)benzyl] ester Formula: C20H12F13NO5S MolecularWeight: 625.357222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=C(C=CC=C2[N+](=O)[O-])C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=C(C=CC=C2[N+](=O)[O-])C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C20H12F13NO5S/c1-10-5-7-11(8-6-10)40(37,38)39-9-12-13(3-2-4-14(12)34(35)36)15(21,22)16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33/h2-8H,9H2,1H3