54713170 -OEChem-05072405502D 101107 0 0 0 0 0 0 0999 V2000 4.3698 5.8261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8163 3.2940 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3698 8.8261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8423 0.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5037 7.3261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5155 1.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9830 13.5016 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9362 13.8380 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4061 15.8622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1018 4.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1018 5.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4438 3.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9678 6.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4286 3.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9678 7.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3138 14.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2358 6.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4003 13.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7707 2.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4830 12.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8010 3.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0702 14.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2358 7.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8022 14.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0702 15.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5048 12.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1018 7.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1431 2.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 2.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8618 5.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0858 4.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9775 13.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5343 14.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6682 13.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8618 7.8608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8022 15.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9362 15.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7936 2.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1762 15.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5218 15.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2702 15.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1762 13.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8897 11.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7678 6.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9362 12.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2702 14.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1130 4.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7678 7.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4692 3.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3842 14.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5653 12.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3698 7.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5003 1.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3788 14.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5598 12.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5381 15.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4099 16.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9665 13.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5325 5.0717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7124 4.9338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0441 12.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1018 8.4461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3399 1.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8546 5.1715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8670 5.1011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5343 14.9580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6682 13.2180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8546 8.4807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3392 15.6480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9362 16.4580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1834 16.4926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9989 1.9914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1282 15.0940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6507 15.8293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9153 15.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1834 13.1834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3233 11.4698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1419 11.1556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4561 11.9742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3162 12.8380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9362 12.2180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5562 12.8380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3036 5.9932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7344 14.0051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5097 4.8244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3036 7.6590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0794 3.2592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0198 15.0213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3131 12.2307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8328 6.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6309 15.1906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9242 12.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2302 15.9036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 15.0576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8461 14.8274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0299 16.8598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4123 17.4821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7899 16.8645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5831 13.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8328 9.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4438 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 90 1 0 0 0 0 2 21 1 0 0 0 0 3 52 1 0 0 0 0 3100 1 0 0 0 0 4 53 1 0 0 0 0 4101 1 0 0 0 0 5 52 2 0 0 0 0 6 53 2 0 0 0 0 7 16 1 0 0 0 0 7 20 1 0 0 0 0 7 32 1 0 0 0 0 8 22 1 0 0 0 0 8 24 2 0 0 0 0 8 45 1 0 0 0 0 9 41 1 0 0 0 0 9 56 1 0 0 0 0 9 57 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 59 1 0 0 0 0 10 60 1 0 0 0 0 11 13 1 0 0 0 0 11 17 2 0 0 0 0 12 14 1 0 0 0 0 12 21 2 0 0 0 0 13 15 1 0 0 0 0 13 30 2 0 0 0 0 14 19 1 0 0 0 0 14 31 2 0 0 0 0 15 27 1 0 0 0 0 15 35 2 0 0 0 0 16 18 2 0 0 0 0 16 40 1 0 0 0 0 17 23 1 0 0 0 0 18 26 1 0 0 0 0 18 33 1 0 0 0 0 19 29 1 0 0 0 0 19 38 2 0 0 0 0 20 26 2 0 0 0 0 20 43 1 0 0 0 0 21 28 1 0 0 0 0 22 25 2 0 0 0 0 22 42 1 0 0 0 0 23 27 2 0 0 0 0 23 52 1 0 0 0 0 24 34 1 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 25 39 1 0 0 0 0 26 61 1 0 0 0 0 27 62 1 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 63 1 0 0 0 0 30 44 1 0 0 0 0 30 64 1 0 0 0 0 31 47 1 0 0 0 0 31 65 1 0 0 0 0 32 50 2 0 0 0 0 32 51 1 0 0 0 0 33 34 2 0 0 0 0 33 66 1 0 0 0 0 34 67 1 0 0 0 0 35 48 1 0 0 0 0 35 68 1 0 0 0 0 36 37 2 0 0 0 0 36 69 1 0 0 0 0 37 70 1 0 0 0 0 38 49 1 0 0 0 0 38 72 1 0 0 0 0 39 41 2 0 0 0 0 39 71 1 0 0 0 0 40 73 1 0 0 0 0 40 74 1 0 0 0 0 40 75 1 0 0 0 0 41 46 1 0 0 0 0 42 46 2 0 0 0 0 42 76 1 0 0 0 0 43 77 1 0 0 0 0 43 78 1 0 0 0 0 43 79 1 0 0 0 0 44 48 2 0 0 0 0 44 83 1 0 0 0 0 45 80 1 0 0 0 0 45 81 1 0 0 0 0 45 82 1 0 0 0 0 46 84 1 0 0 0 0 47 49 2 0 0 0 0 47 85 1 0 0 0 0 48 86 1 0 0 0 0 49 87 1 0 0 0 0 50 54 1 0 0 0 0 50 88 1 0 0 0 0 51 55 2 0 0 0 0 51 89 1 0 0 0 0 54 58 2 0 0 0 0 54 91 1 0 0 0 0 55 58 1 0 0 0 0 55 92 1 0 0 0 0 56 93 1 0 0 0 0 56 94 1 0 0 0 0 56 95 1 0 0 0 0 57 96 1 0 0 0 0 57 97 1 0 0 0 0 57 98 1 0 0 0 0 58 99 1 0 0 0 0 M CHG 2 2 -1 8 1 M END > 54713170 > 1 > 1170 > 7 > 3 > 8 > AAADcfB/OAAAAAAAAAAAAAAAAAAAAWAAAAA8YMGDAAAAAADx/AAAHgAACAAADAyBngQyzvMMEgCoAyTyTACCgCAlIiAI2CE8bNgIJ/bClZOEcUhl4BHI2YeY6PSO4ACDQAAaAADAAQaAADQAAAAAAAAAAA== > 3-carboxy-1-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]naphthalen-2-olate;2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)vinyl]-N,N,1-trimethyl-quinolin-1-ium-6-amine > 3-carboxy-1-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-2-naphthalenolate;2-[(E)-2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethenyl]-N,N,1-trimethyl-6-quinolin-1-iumamine > 3-carboxy-1-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-olate;2-[(E)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-N,N,1-trimethylquinolin-1-ium-6-amine > 3-carboxy-1-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-olate;2-[(E)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-N,N,1-trimethylquinolin-1-ium-6-amine > 3-carboxy-1-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]naphthalen-2-olate;2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-N,N,1-trimethyl-quinolin-1-ium-6-amine > 3-carboxy-1-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]naphthalen-2-olate;[2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)vinyl]-1-methyl-quinolin-1-ium-6-yl]-dimethyl-amine > InChI=1S/C26H28N3.C23H16O6/c1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5;24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h6-18H,1-5H3;1-10,24-25H,11H2,(H,26,27)(H,28,29)/q+1;/p-1 > ZFWFZMYQXOKWIY-UHFFFAOYSA-M > 769.31518610 > C49H43N3O6 > 769.9 > CC1=CC(=C(N1C2=CC=CC=C2)C)C=CC3=[N+](C4=C(C=C3)C=C(C=C4)N(C)C)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)[O-])O)C(=O)O > CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/C3=[N+](C4=C(C=C3)C=C(C=C4)N(C)C)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)[O-])O)C(=O)O > 130 > 769.31518610 > 0 > 58 > 0 > 0 > 1 > 0 > 0 > 2 > -1 > 1 5 255 > 11 13 8 11 17 8 12 14 8 12 21 8 13 15 8 13 30 8 14 19 8 14 31 8 15 27 8 15 35 8 16 18 8 17 23 8 18 26 8 19 29 8 19 38 8 20 26 8 21 28 8 22 25 8 22 42 8 23 27 8 24 36 8 25 37 8 25 39 8 28 29 8 30 44 8 31 47 8 32 50 8 32 51 8 35 48 8 36 37 8 38 49 8 39 41 8 41 46 8 42 46 8 44 48 8 47 49 8 50 54 8 51 55 8 54 58 8 55 58 8 7 16 8 7 20 8 8 22 8 8 24 8 $$$$