45923492 -OEChem-03282421242D 30 31 0 0 0 0 0 0 0999 V2000 6.3301 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5950 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.0622 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.4050 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0950 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 -1.9050 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 30 1 0 0 0 0 2 6 1 0 0 0 0 3 6 2 0 0 0 0 4 7 1 0 0 0 0 5 7 2 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 12 23 1 0 0 0 0 13 15 2 0 0 0 0 14 15 1 0 0 0 0 15 24 1 0 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 17 19 2 0 0 0 0 17 26 1 0 0 0 0 18 20 2 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 M CHG 4 2 -1 4 -1 6 1 7 1 M END > 45923492 > 1 > 359 > 5 > 1 > 2 > AAADccBzOAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAECAAADAyBmAAwxoAQQgCBAiRCQwCCAAAgIgAoiAAFbIoKJiKS0dOAcABkwFEI2AewwOAOAEAAQAQIEAAAgACACBAgAAAAAAAAAA== > 2-benzyl-4,6-dinitro-phenol > 2,4-dinitro-6-(phenylmethyl)phenol > 2-benzyl-4,6-dinitrophenol > 2-benzyl-4,6-dinitrophenol > 2,4-dinitro-6-(phenylmethyl)phenol > 2-benzyl-4,6-dinitro-phenol > InChI=1S/C13H10N2O5/c16-13-10(6-9-4-2-1-3-5-9)7-11(14(17)18)8-12(13)15(19)20/h1-5,7-8,16H,6H2 > JIJXVZUZQWDUPD-UHFFFAOYSA-N > 3.8 > 274.05897142 > C13H10N2O5 > 274.23 > C1=CC=C(C=C1)CC2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O > C1=CC=C(C=C1)CC2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O > 112 > 274.05897142 > 0 > 20 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 16 8 10 17 8 11 13 8 12 14 8 13 15 8 14 15 8 16 18 8 17 19 8 18 20 8 19 20 8 9 11 8 9 12 8 $$$$