Marvin 03030911242D 59 60 0 0 0 0 999 V2000 -1.9741 -1.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6886 -1.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4031 -1.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4031 -2.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6886 -3.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9741 -2.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2597 -3.1821 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -0.5451 -2.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5451 -1.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2597 -1.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1693 -3.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0442 -3.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 -3.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 -2.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2597 -0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5452 -0.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5452 0.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9671 2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1794 1.7678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1693 0.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9507 0.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4438 1.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1334 2.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2653 1.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6101 2.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1176 -3.1821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4351 2.1653 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4351 2.9903 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4351 1.3403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 2.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 2.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2495 1.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 2.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6785 1.7678 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2597 0.9429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9741 -0.2946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1693 -0.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8321 -2.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8321 -1.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1176 -4.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8321 -4.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3632 -0.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1882 -0.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6007 -0.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4257 -0.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8382 -1.4651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8382 -0.0362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0836 1.6619 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 -4.1176 -1.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1176 -0.7071 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.9426 -0.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2926 -0.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1176 0.1179 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7862 -2.3707 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 1.7757 0.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3930 2.1803 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.2619 1.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0951 1.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 10 1 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 6 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 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 10 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 20 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 24 18 2 0 0 0 0 18 22 1 0 0 0 0 22 25 2 0 0 0 0 23 24 1 0 0 0 0 23 26 2 0 0 0 0 25 26 1 0 0 0 0 4 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 28 31 2 0 0 0 0 19 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 17 36 1 4 0 0 0 15 37 1 4 0 0 0 16 38 1 4 0 0 0 27 39 1 0 0 0 0 39 40 1 0 0 0 0 27 41 1 0 0 0 0 41 42 1 0 0 0 0 21 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 2 0 0 0 0 40 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 51 53 2 0 0 0 0 51 54 1 0 0 0 0 21 56 1 0 0 0 0 35 57 1 0 0 0 0 35 58 2 0 0 0 0 35 59 2 0 0 0 0 M CHG 6 7 1 29 -1 49 1 54 -1 55 1 57 -1 M END > CHEBI:51947 > DY-632 > An organic disodium salt having 2-(3-{2-tert-butyl-7-[ethyl(3-sulfonatopropyl)amino]chromenium-4-yl}prop-2-en-1-ylidene)-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate as the counterion. > 3 > disodium 2-(3-{2-tert-butyl-7-[ethyl(3-sulfonatopropyl)amino]chromenium-4-yl}prop-2-en-1-ylidene)-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate > C37H46N2Na2O12S3 > 852.94200 > 852.20083 > 0 > [Na+].[Na+].[H]C(=C([H])c1cc([o+]c2cc(ccc12)N(CC)CCCS([O-])(=O)=O)C(C)(C)C)C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O > InChI=1S/C37H48N2O12S3.2Na/c1-6-38(19-9-21-52(42,43)44)27-14-16-29-26(23-34(36(2,3)4)51-32(29)24-27)11-7-12-33-37(5,18-8-13-35(40)41)30-25-28(54(48,49)50)15-17-31(30)39(33)20-10-22-53(45,46)47;;/h7,11-12,14-17,23-25H,6,8-10,13,18-22H2,1-5H3,(H3-,40,41,42,43,44,45,46,47,48,49,50);;/q;2*+1/p-2 > UAKBMOJQSQAOJF-UHFFFAOYSA-L $$$$