104751 -OEChem-04182419592D 58 59 0 0 0 0 0 0 0999 V2000 8.9282 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 21 1 0 0 0 0 2 16 1 0 0 0 0 2 22 1 0 0 0 0 3 31 1 0 0 0 0 3 55 1 0 0 0 0 4 32 1 0 0 0 0 4 56 1 0 0 0 0 5 33 1 0 0 0 0 5 57 1 0 0 0 0 6 34 1 0 0 0 0 6 58 1 0 0 0 0 7 31 2 0 0 0 0 8 32 2 0 0 0 0 9 33 2 0 0 0 0 10 34 2 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 15 1 0 0 0 0 13 23 2 0 0 0 0 14 16 1 0 0 0 0 14 24 2 0 0 0 0 15 25 2 0 0 0 0 16 26 2 0 0 0 0 17 31 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 32 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 33 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 34 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 27 1 0 0 0 0 23 47 1 0 0 0 0 24 28 1 0 0 0 0 24 48 1 0 0 0 0 25 29 1 0 0 0 0 25 49 1 0 0 0 0 26 30 1 0 0 0 0 26 50 1 0 0 0 0 27 29 2 0 0 0 0 27 51 1 0 0 0 0 28 30 2 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 M END > 104751 > 1 > 613 > 12 > 4 > 15 > AAADceB7PAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAACAAACAzhkAYwzoMABgCIACTSSACCCAAhIgAIiACPbIgPJiLEsbuHOCjkwBHa6AeQQAAAAAAAAAAAEAAAAAAAAAAgAAAAAAAAAA== > 2-[2-[2-[2-[bis(carboxymethyl)amino]phenoxy]ethoxy]-N-(carboxymethyl)anilino]acetic acid > 2-[2-[2-[2-[bis(carboxymethyl)amino]phenoxy]ethoxy]-N-(carboxymethyl)anilino]acetic acid > 2-[2-[2-[2-[bis(carboxymethyl)amino]phenoxy]ethoxy]-N-(carboxymethyl)anilino]acetic acid > 2-[2-[2-[2-[bis(carboxymethyl)amino]phenoxy]ethoxy]-N-(carboxymethyl)anilino]acetic acid > 2-[[2-[2-[2-[bis(2-hydroxy-2-oxoethyl)amino]phenoxy]ethoxy]phenyl]-(2-hydroxy-2-oxoethyl)amino]ethanoic acid > 2-[2-[2-[2-[bis(carboxymethyl)amino]phenoxy]ethoxy]-N-(carboxymethyl)anilino]acetic acid > InChI=1S/C22H24N2O10/c25-19(26)11-23(12-20(27)28)15-5-1-3-7-17(15)33-9-10-34-18-8-4-2-6-16(18)24(13-21(29)30)14-22(31)32/h1-8H,9-14H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32) > FTEDXVNDVHYDQW-UHFFFAOYSA-N > 2.2 > 476.14309497 > C22H24N2O10 > 476.4 > C1=CC=C(C(=C1)N(CC(=O)O)CC(=O)O)OCCOC2=CC=CC=C2N(CC(=O)O)CC(=O)O > C1=CC=C(C(=C1)N(CC(=O)O)CC(=O)O)OCCOC2=CC=CC=C2N(CC(=O)O)CC(=O)O > 174 > 476.14309497 > 0 > 34 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 15 8 13 23 8 14 16 8 14 24 8 15 25 8 16 26 8 23 27 8 24 28 8 25 29 8 26 30 8 27 29 8 28 30 8 $$$$