49849293 -OEChem-05052405532D 67 72 0 0 0 0 0 0 0999 V2000 4.0812 2.1953 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8319 4.6030 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2690 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0698 4.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 3.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6367 3.2092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2038 6.1979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0018 10.8962 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1350 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6648 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6648 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1648 3.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6648 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1648 3.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1648 2.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7397 4.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1648 2.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6057 4.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6679 6.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3378 5.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6679 7.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6057 5.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4718 4.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9359 6.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8019 5.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4718 6.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3378 4.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8019 7.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0698 5.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9359 7.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5619 5.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5619 7.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4679 6.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4679 7.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8548 4.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8548 1.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4748 1.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0688 6.0079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4718 3.5779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8019 5.0779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4718 6.8179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8747 4.3879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2038 6.8179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8019 8.3179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3989 7.5079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5547 5.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5547 8.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0037 5.8650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0037 7.5308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 11.2062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4649 10.5862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6918 11.4331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3118 10.3592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 13 1 0 0 0 0 3 18 1 0 0 0 0 3 24 1 0 0 0 0 7 38 2 0 0 0 0 8 14 1 0 0 0 0 8 16 2 0 0 0 0 9 19 1 0 0 0 0 9 24 2 0 0 0 0 10 29 1 0 0 0 0 10 38 1 0 0 0 0 10 57 1 0 0 0 0 11 64 1 0 0 0 0 11 65 1 0 0 0 0 11 66 1 0 0 0 0 11 67 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 17 2 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 15 23 1 0 0 0 0 17 22 1 0 0 0 0 17 27 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 25 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 23 25 2 0 0 0 0 23 47 1 0 0 0 0 24 26 1 0 0 0 0 25 48 1 0 0 0 0 26 31 2 0 0 0 0 26 32 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 30 1 0 0 0 0 28 34 1 0 0 0 0 28 40 2 0 0 0 0 29 35 2 0 0 0 0 29 36 1 0 0 0 0 30 37 1 0 0 0 0 30 41 2 0 0 0 0 31 35 1 0 0 0 0 31 52 1 0 0 0 0 32 36 2 0 0 0 0 32 53 1 0 0 0 0 33 34 2 0 0 0 0 33 38 1 0 0 0 0 33 39 1 0 0 0 0 34 54 1 0 0 0 0 35 55 1 0 0 0 0 36 56 1 0 0 0 0 37 39 2 0 0 0 0 37 58 1 0 0 0 0 39 59 1 0 0 0 0 40 42 1 0 0 0 0 40 60 1 0 0 0 0 41 43 1 0 0 0 0 41 61 1 0 0 0 0 42 43 2 0 0 0 0 42 62 1 0 0 0 0 43 63 1 0 0 0 0 M CHG 2 4 -1 11 1 M END > 49849293 > 1 > 1070 > 8 > 2 > 4 > AAADceB/uABgAAAAAAAAAAAAAAAAAWLAAAAwYMGDAAAAAFjB/gAAHgQQAAAADAiB3gAywfLIEAqsAyVyVHDD8OBlCjhImD0wZNgIILLglZGEIQxglADoyYcYiMCOyAACgCAUAwCQAAUAQCgGAAAAAAAAAA== > ammonium;6-methyl-2-[2-[4-(naphthalene-2-carbonylamino)phenyl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole-7-sulfonate > ammonium;6-methyl-2-[2-[4-[[2-naphthalenyl(oxo)methyl]amino]phenyl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole-7-sulfonate > azanium;6-methyl-2-[2-[4-(naphthalene-2-carbonylamino)phenyl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole-7-sulfonate > azanium;6-methyl-2-[2-[4-(naphthalene-2-carbonylamino)phenyl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole-7-sulfonate > azanium;6-methyl-2-[2-[4-(naphthalen-2-ylcarbonylamino)phenyl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole-7-sulfonate > ammonium;6-methyl-2-[2-[4-(2-naphthoylamino)phenyl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole-7-sulfonate > InChI=1S/C32H21N3O4S3.H3N/c1-18-6-14-26-28(29(18)42(37,38)39)41-32(35-26)23-11-15-25-27(17-23)40-31(34-25)20-9-12-24(13-10-20)33-30(36)22-8-7-19-4-2-3-5-21(19)16-22;/h2-17H,1H3,(H,33,36)(H,37,38,39);1H3 > IXTRGMWHGXTXLF-UHFFFAOYSA-N > 624.09596878 > C32H24N4O4S3 > 624.8 > CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(S4)C5=CC=C(C=C5)NC(=O)C6=CC7=CC=CC=C7C=C6)S(=O)(=O)[O-].[NH4+] > CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(S4)C5=CC=C(C=C5)NC(=O)C6=CC7=CC=CC=C7C=C6)S(=O)(=O)[O-].[NH4+] > 178 > 624.09596878 > 0 > 43 > 0 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 1 12 8 1 16 8 12 13 8 12 14 8 13 17 8 14 21 8 15 20 8 15 23 8 17 22 8 18 19 8 18 20 8 19 25 8 21 22 8 23 25 8 26 31 8 26 32 8 28 30 8 28 34 8 28 40 8 29 35 8 29 36 8 3 18 8 3 24 8 30 37 8 30 41 8 31 35 8 32 36 8 33 34 8 33 39 8 37 39 8 40 42 8 41 43 8 42 43 8 8 14 8 8 16 8 9 19 8 9 24 8 $$$$