3339 Marvin 12300703363D 46 47 0 0 0 0 999 V2000 6.6748 4.3886 1.1980 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5548 -0.7912 -1.3024 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6282 -3.2345 0.8745 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0122 -2.9063 -1.2068 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 4.8445 -1.8794 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7241 -1.3029 -0.0487 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4776 -0.3080 0.8952 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3273 -1.6546 0.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5141 -2.5322 -0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7504 -4.5560 1.0637 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9252 0.2644 -1.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4548 0.2208 -1.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5839 1.5050 -1.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5912 2.6617 -1.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0064 -4.8113 2.5686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4633 -5.2742 0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2003 1.4121 -1.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8256 2.6845 -1.5335 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3373 3.8286 -1.4181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5722 3.9513 -0.7501 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3663 5.1187 -0.9097 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0990 2.9571 0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6240 5.2667 -0.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3672 3.0790 0.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1390 4.2342 0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4494 -0.0323 0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6417 -0.7219 1.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9077 0.6124 1.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4102 -2.0978 1.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2182 -2.3578 -0.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2963 -0.7673 0.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6144 -4.9363 0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9284 -0.6748 -2.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6032 1.5504 -1.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9122 -4.2988 2.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1382 -5.8785 2.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1733 -4.4555 3.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5486 -6.3549 0.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5906 -4.9302 1.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2804 -5.0651 -0.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 1.3404 -2.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3384 3.5606 -1.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0459 5.8997 -1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5721 2.1103 0.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1567 6.1266 -0.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7225 2.3246 1.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 6 1 0 0 0 0 2 11 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 9 2 0 0 0 0 5 19 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 17 1 0 0 0 0 12 33 1 0 0 0 0 13 18 2 0 0 0 0 13 34 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 43 1 0 0 0 0 22 24 2 0 0 0 0 22 44 1 0 0 0 0 23 25 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 M END > 11 12 8 11 13 8 12 17 8 13 18 8 14 17 8 14 18 8 20 21 8 20 22 8 21 23 8 22 24 8 23 25 8 24 25 8 > InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3 > YMTINGFKWWXKFG-UHFFFAOYSA-N > 1/0/N:15,16,7,8,21,22,17,18,23,24,12,13,10,20,14,25,11,19,9,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:46nClOOOOCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s2;s6;s6;s3d4s6;s3;s2;d11;s11;;s10;s10;s12d14;d13s14;d5s14;s19;d20;s20;s21;d22;s1d23s24;s7;s7;s7;s8;s8;s8;s10;s12;s13;s15;s15;s15;s16;s16;s16;s17;s18;s21;s22;s23;s24;/rC:6.6748,4.3886,1.198;-1.5548,-.7912,-1.3024;-2.6282,-3.2345,.8745;-3.0122,-2.9063,-1.2068;.827,4.8445,-1.8794;-1.7241,-1.3029,-.0487;-2.4776,-.308,.8952;-.3273,-1.6546,.5752;-2.5141,-2.5322,-.1501;-2.7504,-4.556,1.0637;-.9252,.2644,-1.6286;.4548,.2208,-1.9062;-1.5839,1.505,-1.5704;.5912,2.6617,-1.6159;-3.0064,-4.8113,2.5686;-1.4633,-5.2742,.575;1.2003,1.4121,-1.895;-.8256,2.6845,-1.5335;1.3373,3.8286,-1.4181;2.5722,3.9513,-.7501;3.3663,5.1187,-.9097;3.099,2.9571,.1197;4.624,5.2667,-.2995;4.3672,3.079,.7207;5.139,4.2342,.503;-3.4494,-.0323,.479;-2.6417,-.7219,1.8923;-1.9077,.6124,1.0388;-.4102,-2.0978,1.5699;.2182,-2.3578,-.0594;.2963,-.7673,.6974;-3.6144,-4.9363,.509;.9284,-.6748,-2.0555;-2.6032,1.5504,-1.4871;-3.9122,-4.2988,2.8993;-3.1382,-5.8785,2.7577;-2.1733,-4.4555,3.1797;-1.5486,-6.3549,.6888;-.5906,-4.9302,1.1357;-1.2804,-5.0651,-.4811;2.2079,1.3404,-2.0599;-1.3384,3.5606,-1.4026;3.0459,5.8997,-1.488;2.5721,2.1103,.3437;5.1567,6.1266,-.4512;4.7225,2.3246,1.3142; > C20 H21 Cl O4 > 360.8314 > ClC1C([H])=C([H])C(=C([H])C=1[H])C(C1C([H])=C([H])C(=C([H])C=1[H])OC(C(=O)OC([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])=O > 3222 $$$$