Marvin 02031116182D 13 13 0 0 0 0 999 V2000 0.7145 -0.8250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7145 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 11 4 1 0 0 0 0 5 2 2 0 0 0 0 5 4 1 0 0 0 0 6 3 2 0 0 0 0 7 6 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 12 8 2 0 0 0 0 9 8 1 0 0 0 0 1 10 1 0 0 0 0 M CHG 4 1 1 8 1 9 -1 10 -1 M END > CHEBI:39354 > 2,3-dinitrophenol > 3 > 2,3-DNP > 2,3-dinitrophenol > C6H4N2O5 > 184.10640 > 184.01202 > 0 > Oc1cccc(c1[N+]([O-])=O)[N+]([O-])=O > InChI=1S/C6H4N2O5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H > MHKBMNACOMRIAW-UHFFFAOYSA-N > 2213580 > 66-56-8 > 131632 > 66-56-8 > 66-56-8 $$$$