447352 -OEChem-03192404042D 36 36 0 0 0 0 0 0 0999 V2000 2.8660 0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5600 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5600 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5600 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5600 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 2.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 2.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 2.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 1.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 1.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 2.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 36 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 18 1 0 0 0 0 7 19 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 12 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 17 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 18 1 0 0 0 0 15 19 2 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 20 35 1 0 0 0 0 M CHG 4 2 -1 4 -1 6 1 7 1 M END > 447352 > 1 > 385 > 5 > 1 > 4 > AAADceBzOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAECAAADAyBmAAyxoAQQgCBAiRCQwCCAAAgIgAgiAAFbIoKJiKS0dOAcABkwFEI2AewwKAOAEAAQAQIEAAAgACACBAgAAAAAAAAAA== > 2-[(Z)-1-methylhex-1-enyl]-4,6-dinitro-phenol > 2-[(Z)-hept-2-en-2-yl]-4,6-dinitrophenol > 2-[(Z)-hept-2-en-2-yl]-4,6-dinitrophenol > 2-[(Z)-hept-2-en-2-yl]-4,6-dinitrophenol > 2-[(Z)-hept-2-en-2-yl]-4,6-dinitro-phenol > 2-[(Z)-1-methylhex-1-enyl]-4,6-dinitro-phenol > InChI=1S/C13H16N2O5/c1-3-4-5-6-9(2)11-7-10(14(17)18)8-12(13(11)16)15(19)20/h6-8,16H,3-5H2,1-2H3/b9-6- > BVJNHSSCQPISNP-TWGQIWQCSA-N > 4.9 > 280.10592162 > C13H16N2O5 > 280.28 > CCCCC=C(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O > CCCC/C=C(/C)\C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O > 112 > 280.10592162 > 0 > 20 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 13 14 8 13 15 8 14 18 8 15 19 8 18 20 8 19 20 8 $$$$