19696790 -OEChem-03292401092D 66 65 0 0 0 0 0 0 0999 V2000 8.0622 0.4330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0670 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 4.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 4.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 -4.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4127 1.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7225 1.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3051 -0.8315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3051 -0.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.5419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.5419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2475 1.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9378 0.6885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8552 -0.9005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8552 -1.6976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8552 2.5636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8552 1.7665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3051 -2.5636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3051 -1.7665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3051 2.6326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3051 3.4296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8552 -2.6326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8552 -3.4296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8552 4.2956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8552 3.4986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3051 -4.2956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3051 -3.4986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.5419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.5419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2101 4.7631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 -4.7631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.9392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0201 6.1661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7932 5.3192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 4.1431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4501 4.7631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 5.3831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2932 -5.9392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1401 -6.1661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3671 -5.3192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 -4.1431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7101 -4.7631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 -5.3831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 14 2 0 0 0 0 3 26 1 0 0 0 0 4 26 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 6 9 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 10 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 11 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 12 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 13 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 19 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 15 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 16 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 18 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 20 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 21 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 26 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 20 53 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 M CHG 2 1 -1 3 -1 M END > 19696790 > 1 > 359 > 4 > 0 > 15 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADwCAgAACCAAAAAAIAACQCAAAAAAAAAAAAAEAAAAAABIAAAAAAAAEAAAAAAGIyPCPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2,2-bis(6-methylheptyl)hexanedioate > 2,2-bis(6-methylheptyl)hexanedioate > 2,2-bis(6-methylheptyl)hexanedioate > 2,2-bis(6-methylheptyl)hexanedioate > 2,2-bis(6-methylheptyl)hexanedioate > 2,2-bis(6-methylheptyl)adipate > InChI=1S/C22H42O4/c1-18(2)12-7-5-9-15-22(21(25)26,17-11-14-20(23)24)16-10-6-8-13-19(3)4/h18-19H,5-17H2,1-4H3,(H,23,24)(H,25,26)/p-2 > NLDIKPYEHYRZBW-UHFFFAOYSA-L > 8.8 > 368.29265975 > C22H40O4-2 > 368.5 > CC(C)CCCCCC(CCCCCC(C)C)(CCCC(=O)[O-])C(=O)[O-] > CC(C)CCCCCC(CCCCCC(C)C)(CCCC(=O)[O-])C(=O)[O-] > 80.3 > 368.29265975 > -2 > 26 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 $$$$