172469 -OEChem-05191320262D 71 76 0 0 0 0 0 0 0999 V2000 13.3191 -2.1109 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 3.0278 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1117 -3.0508 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.6449 2.9088 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 4.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 3.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6995 2.1637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6928 3.8919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1001 -4.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1118 -3.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1116 -3.0623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1549 3.7690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7847 3.4188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1350 2.0486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 -0.0309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 4.0383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8552 -2.0708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6218 0.9089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7385 -0.5810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5871 -2.0909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4704 -0.6010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 0.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 3.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 2.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 3.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 1.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 -0.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 3.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2631 -1.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1232 -2.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1464 -0.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9950 -1.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0066 -0.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7269 -1.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4936 1.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5051 2.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6102 -0.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3537 0.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3769 2.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2255 1.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2371 2.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4589 -1.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 1.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 -0.3347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.3491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 3.6583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 4.3420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9478 4.3544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7226 -1.8446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1535 0.5690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 2.8366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5470 -0.2572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8480 -2.6908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5984 3.2232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5596 -4.3544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0885 1.2251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3466 0.2689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3840 3.5087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7588 1.0627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7775 2.6826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8511 4.3095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 51 1 0 0 0 0 2 7 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 27 1 0 0 0 0 3 10 1 0 0 0 0 3 11 2 0 0 0 0 3 12 2 0 0 0 0 3 37 1 0 0 0 0 4 13 1 0 0 0 0 4 14 2 0 0 0 0 4 15 2 0 0 0 0 4 45 1 0 0 0 0 5 29 2 0 0 0 0 6 31 2 0 0 0 0 7 64 1 0 0 0 0 10 65 1 0 0 0 0 13 71 1 0 0 0 0 16 25 1 0 0 0 0 16 33 1 0 0 0 0 16 53 1 0 0 0 0 17 26 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 41 1 0 0 0 0 18 43 1 0 0 0 0 18 63 1 0 0 0 0 19 44 1 0 0 0 0 19 46 1 0 0 0 0 19 66 1 0 0 0 0 20 43 1 0 0 0 0 20 46 2 0 0 0 0 21 43 2 0 0 0 0 21 51 1 0 0 0 0 22 46 1 0 0 0 0 22 51 2 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 23 29 1 0 0 0 0 24 26 1 0 0 0 0 24 31 1 0 0 0 0 25 32 2 0 0 0 0 26 27 2 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 34 2 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 32 52 1 0 0 0 0 33 36 2 0 0 0 0 33 40 1 0 0 0 0 34 38 1 0 0 0 0 34 54 1 0 0 0 0 35 39 1 0 0 0 0 35 55 1 0 0 0 0 36 37 1 0 0 0 0 36 58 1 0 0 0 0 37 41 2 0 0 0 0 38 39 2 0 0 0 0 38 60 1 0 0 0 0 39 61 1 0 0 0 0 40 42 2 0 0 0 0 40 59 1 0 0 0 0 41 42 1 0 0 0 0 42 62 1 0 0 0 0 44 45 1 0 0 0 0 44 47 2 0 0 0 0 45 48 2 0 0 0 0 47 49 1 0 0 0 0 47 67 1 0 0 0 0 48 50 1 0 0 0 0 48 68 1 0 0 0 0 49 50 2 0 0 0 0 49 69 1 0 0 0 0 50 70 1 0 0 0 0 M END > 172469 > 1 > 1640 > 18 > 7 > 9 > AAADceB7vABkAAAAAAAAAAAAAAAAAAAAAAA8YMGDAAAAAADB1AAAHgYQCAAADAyB2AAx0YbIEIKoAqRSZHDCAEklAoAJiB0AZMiIKHrAnZGEIYxokALIyecdiMCOkACAwCASAQCgAQWAQCQCAAAAAAAAAA== > 1-amino-4-[4-[[4-chloro-6-(2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfo-anilino]-9,10-dioxo-anthracene-2-sulfonic acid > 1-amino-4-[4-[[4-chloro-6-(2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfoanilino]-9,10-dioxo-2-anthracenesulfonic acid > 1-amino-4-[4-[[4-chloro-6-(2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid > 1-azanyl-4-[[4-[[4-chloranyl-6-[(2-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-3-sulfo-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid > 1-amino-4-[4-[[4-chloro-6-(2-sulfoanilino)-s-triazin-2-yl]amino]-3-sulfo-anilino]-9,10-diketo-anthracene-2-sulfonic acid > InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37) > YKCWQPZFAFZLBI-UHFFFAOYSA-N > 4.9 > 773.007145 > C29H20ClN7O11S3 > 774.1574 > C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6S(=O)(=O)O)Cl)S(=O)(=O)O)S(=O)(=O)O)N > C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6S(=O)(=O)O)Cl)S(=O)(=O)O)S(=O)(=O)O)N > 323 > 773.007145 > 0 > 51 > 0 > 0 > 0 > 0 > 0 > 1 > 108 > 1 5 255 > 20 43 8 20 46 8 21 43 8 21 51 8 22 46 8 22 51 8 23 24 8 23 25 8 24 26 8 25 32 8 26 27 8 27 32 8 28 30 8 28 34 8 30 35 8 33 36 8 33 40 8 34 38 8 35 39 8 36 37 8 37 41 8 38 39 8 40 42 8 41 42 8 44 45 8 44 47 8 45 48 8 47 49 8 48 50 8 49 50 8 $$$$