105060 -OEChem-05132405552D 78 81 0 0 0 0 0 0 0999 V2000 10.5309 -1.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 1.5675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0309 -5.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5309 -1.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.2626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 -4.4947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5309 -2.7626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.7626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5309 5.8976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0309 1.5675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 5.0316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0309 3.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 -3.5674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5309 -2.7626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 3.2996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5309 -2.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5309 -2.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 -2.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 -1.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 -1.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 -1.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 -3.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 -3.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0309 -3.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0309 -1.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 3.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 -0.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 2.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 0.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 4.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5309 2.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5309 4.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5309 2.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0309 3.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5309 4.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5309 -4.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0309 -1.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0309 3.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 5.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5309 2.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1399 -4.1567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1399 -1.3686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7209 -1.3597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7209 -4.1656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3409 -4.1656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.3826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5058 -4.0272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5058 -3.2301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1385 -1.2860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4483 -1.6845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5559 0.2340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5559 -0.5631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0058 0.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0058 1.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2209 4.7025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8409 1.8966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0559 4.5641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0559 3.7670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4232 1.8230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1135 2.2215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8409 4.7025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0309 2.6796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6509 3.2996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0309 3.9196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7209 -5.8976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1509 -1.0306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9109 5.8976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4109 1.5675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 31 1 0 0 0 0 2 32 1 0 0 0 0 2 34 1 0 0 0 0 3 42 1 0 0 0 0 3 74 1 0 0 0 0 4 43 1 0 0 0 0 4 75 1 0 0 0 0 5 44 1 0 0 0 0 5 76 1 0 0 0 0 6 42 2 0 0 0 0 7 43 2 0 0 0 0 8 44 2 0 0 0 0 9 46 1 0 0 0 0 9 77 1 0 0 0 0 10 47 1 0 0 0 0 10 78 1 0 0 0 0 11 46 2 0 0 0 0 12 47 2 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 13 48 1 0 0 0 0 14 18 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 22 2 0 0 0 0 17 23 2 0 0 0 0 17 24 1 0 0 0 0 18 21 2 0 0 0 0 18 25 1 0 0 0 0 19 20 2 0 0 0 0 19 26 1 0 0 0 0 20 22 1 0 0 0 0 20 27 1 0 0 0 0 21 23 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 26 33 2 0 0 0 0 26 53 1 0 0 0 0 27 35 2 0 0 0 0 27 54 1 0 0 0 0 28 42 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 43 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 32 2 0 0 0 0 30 36 1 0 0 0 0 31 34 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 37 1 0 0 0 0 33 35 1 0 0 0 0 33 44 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 35 63 1 0 0 0 0 36 41 2 0 0 0 0 36 64 1 0 0 0 0 37 40 2 0 0 0 0 37 65 1 0 0 0 0 38 46 1 0 0 0 0 38 66 1 0 0 0 0 38 67 1 0 0 0 0 39 47 1 0 0 0 0 39 68 1 0 0 0 0 39 69 1 0 0 0 0 40 41 1 0 0 0 0 40 45 1 0 0 0 0 41 70 1 0 0 0 0 45 71 1 0 0 0 0 45 72 1 0 0 0 0 45 73 1 0 0 0 0 M END > 105060 > 1 > 1090 > 14 > 6 > 17 > AAADceB/PAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAQCAAADAzhngYyzvPJlgCoAyTyTACCiCAlIiAImSG/bNgPJvLEtbuHeSjk0BHa+Ye8yPCOSAABQAACEACQAAKAAAQgAAAAAAAAAA== > 2-[4-[bis(carboxymethyl)amino]-3-[2-[2-[bis(carboxymethyl)amino]-5-methyl-phenoxy]ethoxy]phenyl]-1H-indole-6-carboxylic acid > 2-[4-[bis(carboxymethyl)amino]-3-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]phenyl]-1H-indole-6-carboxylic acid > 2-[4-[bis(carboxymethyl)amino]-3-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]phenyl]-1H-indole-6-carboxylic acid > 2-[4-[bis(carboxymethyl)amino]-3-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]phenyl]-1H-indole-6-carboxylic acid > 2-[4-[bis(2-hydroxy-2-oxoethyl)amino]-3-[2-[2-[bis(2-hydroxy-2-oxoethyl)amino]-5-methyl-phenoxy]ethoxy]phenyl]-1H-indole-6-carboxylic acid > 2-[4-[bis(carboxymethyl)amino]-3-[2-[2-[bis(carboxymethyl)amino]-5-methyl-phenoxy]ethoxy]phenyl]-1H-indole-6-carboxylic acid > InChI=1S/C32H31N3O12/c1-18-2-6-24(34(14-28(36)37)15-29(38)39)26(10-18)46-8-9-47-27-13-20(5-7-25(27)35(16-30(40)41)17-31(42)43)22-11-19-3-4-21(32(44)45)12-23(19)33-22/h2-7,10-13,33H,8-9,14-17H2,1H3,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45) > AMHAQOBUZCQMHN-UHFFFAOYSA-N > 3.9 > 649.19077343 > C32H31N3O12 > 649.6 > CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=CC(=C2)C3=CC4=C(N3)C=C(C=C4)C(=O)O)N(CC(=O)O)CC(=O)O > CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=CC(=C2)C3=CC4=C(N3)C=C(C=C4)C(=O)O)N(CC(=O)O)CC(=O)O > 227 > 649.19077343 > 0 > 47 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 16 8 13 19 8 16 22 8 17 23 8 17 24 8 18 21 8 18 25 8 19 20 8 19 26 8 20 22 8 20 27 8 21 23 8 24 25 8 26 33 8 27 35 8 30 32 8 30 36 8 32 37 8 33 35 8 36 41 8 37 40 8 40 41 8 $$$$