Mrv0541 06191414432D 58 63 0 0 0 0 999 V2000 -2.2609 -2.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2609 -3.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5465 -3.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 -3.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 -2.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5465 -1.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1175 -3.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -3.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -2.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1175 -1.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2998 -1.8109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1175 -0.9859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3027 -3.4559 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0171 -3.8684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8842 -4.1811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7088 -2.7522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5465 -0.9860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9754 -3.4609 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6899 -3.8734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4504 -2.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4915 -4.1385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0071 -2.2127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6996 -1.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4110 -2.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1225 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1168 -0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4055 -0.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6939 -0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8322 -0.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5441 -0.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2555 -0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2496 0.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5376 0.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8262 0.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9749 -0.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5316 1.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9511 0.7054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6656 0.2929 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3801 0.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0958 0.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8102 0.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8102 1.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0945 1.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3801 1.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5246 0.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2392 0.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2392 1.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5246 1.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0957 -0.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5246 -0.5321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6668 1.9422 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9523 2.3547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 2.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2581 1.2342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9454 1.9375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.6600 2.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5268 2.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3514 1.2342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 5 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 16 2 0 0 0 0 6 17 1 0 0 0 0 2 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 18 21 2 0 0 0 0 11 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 23 28 1 0 0 0 0 26 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 29 34 1 0 0 0 0 28 35 1 0 0 0 0 33 36 1 0 0 0 0 32 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 39 44 1 0 0 0 0 41 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 42 48 1 0 0 0 0 40 49 1 0 0 0 0 45 50 1 0 0 0 0 44 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 2 0 0 0 0 51 54 2 0 0 0 0 47 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 2 0 0 0 0 55 58 2 0 0 0 0 M END > CHEBI:78900 > trypan blue sulfonic acid > An aminonaphthalenesulfonic acid that is the free acid form of trypan blue dye. > 3 > Trypan blue free acid; trypan blue acid > 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonic acid) > C34H28N6O14S4 > 872.87800 > 872.05463 > 0 > Cc1cc(ccc1\N=N\c1c(O)c2c(N)cc(cc2cc1S(O)(=O)=O)S(O)(=O)=O)-c1ccc(\N=N\c2c(O)c3c(N)cc(cc3cc2S(O)(=O)=O)S(O)(=O)=O)c(C)c1 > InChI=1S/C34H28N6O14S4/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/b39-37+,40-38+ > ZBNARPCCDMHDDV-HVMBLDELSA-N > 2538-83-2 > 2538-83-2 > Trypan_blue $$$$