70561393 -OEChem-03292402072D 28 28 0 0 0 0 0 0 0999 V2000 7.1962 4.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 3.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 2.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 13 1 0 0 0 0 3 15 1 0 0 0 0 4 13 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 7 10 2 0 0 0 0 7 19 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 17 3 0 0 0 0 M END > 70561393 > 1 > 329 > 3 > 0 > 5 > AAADccBwMAAAAgAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAgAAAADASimAIyDoAABADIEiDSCAACCAAgIAAIiAAGCMgMJiKEMRqCMCAkwBEIqYeAwAAOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > 3-iodoprop-2-ynyl (E)-3-(4-methoxyphenyl)prop-2-enoate > (E)-3-(4-methoxyphenyl)-2-propenoic acid 3-iodoprop-2-ynyl ester > 3-iodoprop-2-ynyl (E)-3-(4-methoxyphenyl)prop-2-enoate > 3-iodoprop-2-ynyl (E)-3-(4-methoxyphenyl)prop-2-enoate > 3-iodanylprop-2-ynyl (E)-3-(4-methoxyphenyl)prop-2-enoate > (E)-3-(4-methoxyphenyl)acrylic acid 3-iodoprop-2-ynyl ester > InChI=1S/C13H11IO3/c1-16-12-6-3-11(4-7-12)5-8-13(15)17-10-2-9-14/h3-8H,10H2,1H3/b8-5+ > DTVXQKNGXHDKAP-VMPITWQZSA-N > 3.1 > 341.97529 > C13H11IO3 > 342.13 > COC1=CC=C(C=C1)C=CC(=O)OCC#CI > COC1=CC=C(C=C1)/C=C/C(=O)OCC#CI > 35.5 > 341.97529 > 0 > 17 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 5 6 8 5 7 8 6 9 8 7 10 8 8 10 8 8 9 8 $$$$