Mrv1652306031608122D 70 75 0 0 0 0 999 V2000 1.4289 12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 8.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 9.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 7.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 4.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 8.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 9.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 8.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 9.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 11.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 6.7105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 8.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 5.2520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 3.8230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 7.4250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 4.5375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5834 5.1916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2978 6.7709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 2 0 0 0 0 9 5 1 0 0 0 0 10 6 2 0 0 0 0 12 11 2 0 0 0 0 15 13 2 0 0 0 0 16 14 2 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 27 11 1 0 0 0 0 27 13 1 0 0 0 0 28 12 1 0 0 0 0 28 14 1 0 0 0 0 29 7 2 0 0 0 0 29 8 1 0 0 0 0 30 9 2 0 0 0 0 30 10 1 0 0 0 0 31 15 1 0 0 0 0 31 25 2 0 0 0 0 32 16 1 0 0 0 0 32 26 2 0 0 0 0 33 25 1 0 0 0 0 33 27 2 0 0 0 0 34 26 1 0 0 0 0 34 28 2 0 0 0 0 35 17 1 0 0 0 0 36 18 1 0 0 0 0 43 35 2 0 0 0 0 44 36 2 0 0 0 0 45 29 1 4 0 0 0 45 37 2 0 0 0 0 46 30 1 4 0 0 0 46 38 2 0 0 0 0 47 31 1 4 0 0 0 47 39 2 0 0 0 0 48 32 1 4 0 0 0 48 40 2 0 0 0 0 49 37 1 0 0 0 0 49 39 1 0 0 0 0 50 38 1 0 0 0 0 50 40 1 0 0 0 0 51 37 1 0 0 0 0 51 41 2 0 0 0 0 52 38 1 0 0 0 0 52 42 2 0 0 0 0 53 39 1 0 0 0 0 53 41 1 0 0 0 0 54 40 1 0 0 0 0 54 42 1 0 0 0 0 55 19 1 0 0 0 0 55 21 1 0 0 0 0 55 41 1 0 0 0 0 56 20 1 0 0 0 0 56 22 1 0 0 0 0 56 42 1 0 0 0 0 57 23 1 0 0 0 0 58 24 1 0 0 0 0 59 35 1 0 0 0 0 60 36 1 0 0 0 0 67 33 1 0 0 0 0 67 61 1 0 0 0 0 67 62 2 0 0 0 0 67 63 2 0 0 0 0 68 34 1 0 0 0 0 68 64 1 0 0 0 0 68 65 2 0 0 0 0 68 66 2 0 0 0 0 69 11 1 0 0 0 0 70 12 1 0 0 0 0 M END > CHEM044404 > chemdb > [H]\C(=C(\[H])C1=C(C=C(C=C1)N=C1NC(=NC2=CC=CC=C2)N=C(N1)N(CCO)CCC(O)=N)S(O)(=O)=O)C1=C(C=C(C=C1)N=C1NC(=NC2=CC=CC=C2)N=C(N1)N(CCO)CCC(O)=N)S(O)(=O)=O > InChI=1S/C42H46N14O10S2/c43-35(59)17-19-55(21-23-57)41-51-37(45-29-7-3-1-4-8-29)49-39(53-41)47-31-15-13-27(33(25-31)67(61,62)63)11-12-28-14-16-32(26-34(28)68(64,65)66)48-40-50-38(46-30-9-5-2-6-10-30)52-42(54-40)56(22-24-58)20-18-36(44)60/h1-16,25-26,57-58H,17-24H2,(H2,43,59)(H2,44,60)(H,61,62,63)(H,64,65,66)(H2,45,47,49,51,53)(H2,46,48,50,52,54)/b12-11+ > FYHAKIYWVTVEOS-VAWYXSNFSA-N > C42H46N14O10S2 > 971.04 > 970.296276085 > 24 > 114 > 100.51632996410004 > 0 > 12 > 0 > 0 > 3-{[6-({4-[(E)-2-{4-[(6-{[2-(C-hydroxycarbonimidoyl)ethyl](2-hydroxyethyl)amino}-4-(phenylimino)-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene)amino]-2-sulfophenyl}ethenyl]-3-sulfophenyl}imino)-4-(phenylimino)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl](2-hydroxyethyl)amino}propanimidic acid > 0.54 > -1.772953486305811 > -4.11 > 1 > 6 > -3 > -2.1771022503623163 > -2.851924308607887 > 15.534962681264616 > 366.12 > 279.247 > 20 > 0 > 7.50e-02 g/l > 3-{[4-({4-[(E)-2-{4-[(4-{[2-(C-hydroxycarbonimidoyl)ethyl](2-hydroxyethyl)amino}-6-(phenylimino)-1,3-dihydro-1,3,5-triazin-2-ylidene)amino]-2-sulfophenyl}ethenyl]-3-sulfophenyl}imino)-6-(phenylimino)-3,5-dihydro-1,3,5-triazin-2-yl](2-hydroxyethyl)amino}propanimidic acid > 0 > 4,4'-bis[[4-anilino-6-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-1,3,5,-triazin-2-yl]amino]stilbene-2,2'-disulfonic acid > 66085-71-0 $$$$