Marvin 11301010432D 17 17 0 0 0 0 999 V2000 11.4374 -8.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4374 -7.5672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7299 -8.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1684 -8.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0461 -8.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7299 -9.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3151 -8.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0461 -10.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3151 -9.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0461 -7.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0461 -10.8686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3316 -7.1547 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7606 -7.1547 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.0461 -6.7422 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.3316 -11.2811 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7606 -11.2811 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.0461 -11.6936 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 10 5 1 0 0 0 0 8 6 2 0 0 0 0 9 7 2 0 0 0 0 9 8 1 0 0 0 0 11 8 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 M END > CHEBI:60697 > 2,5-bis(trifluoromethyl)benzoic acid > A benzoic acid carrying trifluoromethyl substituents at the 2- and 5-positions. > 3 > 2,5-bis(trifluoroformyl)benzoic acid > 2,5-bis(trifluoromethyl)benzoic acid > C9H4F6O2 > 258.11730 > 258.01155 > 0 > OC(=O)c1cc(ccc1C(F)(F)F)C(F)(F)F > InChI=1S/C9H4F6O2/c10-8(11,12)4-1-2-6(9(13,14)15)5(3-4)7(16)17/h1-3H,(H,16,17) > PINBPLCVZSKLTF-UHFFFAOYSA-N > 1989837 $$$$