Mrv1572004191603292D 68 71 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 9.4875 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 -5.7158 2.4750 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 5.0013 8.6625 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 -5.7158 3.3000 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 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 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 5.7158 8.2500 0.0000 O 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 -6.4302 3.7125 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 0.4125 8.1395 0.0000 O 0 5 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 -1.1270 3.8230 0.0000 O 0 5 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 -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 0.8250 8.8539 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 -1.5395 3.1086 0.0000 Na 0 3 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 21 17 1 0 0 0 0 22 18 1 0 0 0 0 23 19 1 0 0 0 0 24 20 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 41 29 1 4 0 0 0 41 35 2 0 0 0 0 42 30 1 4 0 0 0 42 36 2 0 0 0 0 43 31 1 4 0 0 0 43 37 2 0 0 0 0 44 32 1 4 0 0 0 44 38 2 0 0 0 0 45 35 1 0 0 0 0 45 37 1 0 0 0 0 46 36 1 0 0 0 0 46 38 1 0 0 0 0 47 35 1 0 0 0 0 47 39 2 0 0 0 0 48 36 1 0 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 17 1 0 0 0 0 51 18 1 0 0 0 0 51 39 1 0 0 0 0 52 19 1 0 0 0 0 52 20 1 0 0 0 0 52 40 1 0 0 0 0 53 21 1 0 0 0 0 54 22 1 0 0 0 0 55 23 1 0 0 0 0 56 24 1 0 0 0 0 63 33 1 0 0 0 0 63 57 1 0 0 0 0 63 58 2 0 0 0 0 63 59 2 0 0 0 0 64 34 1 0 0 0 0 64 60 1 0 0 0 0 64 61 2 0 0 0 0 64 62 2 0 0 0 0 67 11 1 0 0 0 0 68 12 1 0 0 0 0 M CHG 4 57 -1 60 -1 65 1 66 1 M END > CHEM012294 > chemdb > [Na+].[Na+].[H]\C(=C(\[H])C1=C(C=C(C=C1)N=C1NC(=NC2=CC=CC=C2)N=C(N1)N(CCO)CCO)S([O-])(=O)=O)C1=C(C=C(C=C1)N=C1NC(=NC2=CC=CC=C2)N=C(N1)N(CCO)CCO)S([O-])(=O)=O > InChI=1S/C40H44N12O10S2.2Na/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56;;/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2/b12-11+;; > YJHDFAAFYNRKQE-YHPRVSEPSA-L > C40H42N12Na2O10S2 > 960.95 > 960.23836651 > 22 > 108 > 95.45132141755194 > 0 > 8 > 0 > 0 > disodium 5-({6-[bis(2-hydroxyethyl)amino]-4-(phenylimino)-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene}amino)-2-[(E)-2-[4-({6-[bis(2-hydroxyethyl)amino]-4-(phenylimino)-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene}amino)-2-sulfonatophenyl]ethenyl]benzene-1-sulfonate > 2.08 > 2.78091376801477 > -4.09 > 1 > 6 > -2 > -2.062002582906678 > -2.775796411756806 > 3.6077722148967077 > 324.0799999999999 > 242.50260000000003 > 18 > 0 > 7.81e-02 g/l > disodium 5-({4-[bis(2-hydroxyethyl)amino]-6-(phenylimino)-1,3-dihydro-1,3,5-triazin-2-ylidene}amino)-2-[(E)-2-[4-({4-[bis(2-hydroxyethyl)amino]-6-(phenylimino)-1,3-dihydro-1,3,5-triazin-2-ylidene}amino)-2-sulfonatophenyl]ethenyl]benzenesulfonate > 0 > Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt > 4193-55-9 $$$$