71301416 -OEChem-05042406582D 92 92 0 0 0 0 0 0 0999 V2000 0.6667 0.0000 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.0000 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5000 -2.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -2.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -18.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -18.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -8.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -8.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -1.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -22.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -22.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -22.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -22.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -11.8000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3333 -11.8000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0000 -12.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -12.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -12.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -12.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -10.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -10.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -9.8000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3333 -9.8000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6667 -6.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -6.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -16.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -16.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -8.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -8.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -14.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -14.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -18.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -18.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -16.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -16.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -20.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -20.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -7.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -7.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -17.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -17.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -19.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -19.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -21.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -21.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -4.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -4.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -20.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -20.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4614 -3.7994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4614 -3.7994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6222 -17.9888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6222 -17.9888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -14.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -14.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5582 -15.8314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5582 -15.8314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6911 -5.8243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6911 -5.8243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1421 -7.7728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1421 -7.7728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7442 -10.7396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7442 -10.7396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -24.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -24.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6906 -21.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -22.4427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9760 -21.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6906 -21.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -22.4427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9760 -21.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 0.0000 0.0000 H 0 3 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 2 12 2 0 0 0 0 2 13 2 0 0 0 0 2 34 1 0 0 0 0 3 7 1 0 0 0 0 3 14 2 0 0 0 0 3 15 2 0 0 0 0 3 35 1 0 0 0 0 6 66 1 0 0 0 0 7 67 1 0 0 0 0 8 32 1 0 0 0 0 8 68 1 0 0 0 0 9 33 1 0 0 0 0 9 69 1 0 0 0 0 10 30 2 0 0 0 0 11 31 2 0 0 0 0 16 52 1 0 0 0 0 16 84 1 0 0 0 0 17 53 1 0 0 0 0 17 85 1 0 0 0 0 18 62 2 0 0 0 0 19 63 2 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 22 28 2 0 0 0 0 23 29 2 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 24 74 1 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 25 75 1 0 0 0 0 26 39 2 0 0 0 0 27 38 2 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 30 36 1 0 0 0 0 30 38 1 0 0 0 0 31 37 1 0 0 0 0 31 39 1 0 0 0 0 32 42 2 0 0 0 0 32 46 1 0 0 0 0 33 43 2 0 0 0 0 33 47 1 0 0 0 0 34 37 2 0 0 0 0 34 40 1 0 0 0 0 35 36 2 0 0 0 0 35 41 1 0 0 0 0 36 70 1 0 0 0 0 37 71 1 0 0 0 0 38 44 1 0 0 0 0 39 45 1 0 0 0 0 40 45 2 0 0 0 0 40 50 1 0 0 0 0 41 44 2 0 0 0 0 41 51 1 0 0 0 0 42 48 1 0 0 0 0 43 49 1 0 0 0 0 44 54 1 0 0 0 0 45 55 1 0 0 0 0 46 52 2 0 0 0 0 46 72 1 0 0 0 0 47 53 2 0 0 0 0 47 73 1 0 0 0 0 48 56 2 0 0 0 0 48 76 1 0 0 0 0 49 57 2 0 0 0 0 49 77 1 0 0 0 0 50 58 2 0 0 0 0 50 78 1 0 0 0 0 51 59 2 0 0 0 0 51 79 1 0 0 0 0 52 56 1 0 0 0 0 53 57 1 0 0 0 0 54 60 2 0 0 0 0 54 80 1 0 0 0 0 55 61 2 0 0 0 0 55 81 1 0 0 0 0 56 62 1 0 0 0 0 57 63 1 0 0 0 0 58 61 1 0 0 0 0 59 60 1 0 0 0 0 60 82 1 0 0 0 0 61 83 1 0 0 0 0 62 64 1 0 0 0 0 63 65 1 0 0 0 0 64 86 1 0 0 0 0 64 87 1 0 0 0 0 64 88 1 0 0 0 0 65 89 1 0 0 0 0 65 90 1 0 0 0 0 65 91 1 0 0 0 0 M CHG 7 4 1 5 1 20 -1 21 -1 28 1 29 1 92 1 M END > 71301416 > 1 > 2030 > 22 > 9 > 2 > AAADceB/vjBgAAAgAAAAAAAAAAAAAAAAAAAwYMGCBAgAAECBVAAAHgQcCAAADAyB2AAyxoByQoKpA6RyQ3DSBAAkIgA4iAEnbNoKJ7aSlZOAcUBl+BUI2Ye87KTOqEAASAAYEABQgACQADAgAAAAAAAAAA== > disodium;(4Z)-4-[(5-acetyl-2,4-dihydroxy-phenyl)hydrazono]-7-nitro-3-oxo-naphthalene-1-sulfonic acid;hydron;iron > disodium;(4Z)-4-[(5-acetyl-2,4-dihydroxyphenyl)hydrazinylidene]-7-nitro-3-oxo-1-naphthalenesulfonic acid;hydron;iron > disodium;(4Z)-4-[(5-acetyl-2,4-dihydroxyphenyl)hydrazinylidene]-7-nitro-3-oxonaphthalene-1-sulfonic acid;hydron;iron > disodium;(4Z)-4-[(5-acetyl-2,4-dihydroxyphenyl)hydrazinylidene]-7-nitro-3-oxonaphthalene-1-sulfonic acid;hydron;iron > disodium;(4Z)-4-[[5-ethanoyl-2,4-bis(oxidanyl)phenyl]hydrazinylidene]-7-nitro-3-oxidanylidene-naphthalene-1-sulfonic acid;hydron;iron > disodium;(4Z)-4-[(5-acetyl-2,4-dihydroxy-phenyl)hydrazono]-3-keto-7-nitro-naphthalene-1-sulfonic acid;hydron;iron > InChI=1S/2C18H13N3O9S.Fe.2Na/c2*1-8(22)11-5-13(15(24)6-14(11)23)19-20-18-10-3-2-9(21(26)27)4-12(10)17(7-16(18)25)31(28,29)30;;;/h2*2-7,19,23-24H,1H3,(H,28,29,30);;;/q;;;2*+1/p+1/b2*20-18-;;; > CEMFABNLWYIFLX-AAKRUBNNSA-O > 996.996799 > C36H27FeN6Na2O18S2+3 > 997.6 > [H+].CC(=O)C1=CC(=C(C=C1O)O)NN=C2C3=C(C=C(C=C3)[N+](=O)[O-])C(=CC2=O)S(=O)(=O)O.CC(=O)C1=CC(=C(C=C1O)O)NN=C2C3=C(C=C(C=C3)[N+](=O)[O-])C(=CC2=O)S(=O)(=O)O.[Na+].[Na+].[Fe] > [H+].CC(=O)C1=CC(=C(C=C1O)O)N/N=C/2\C(=O)C=C(C3=C2C=CC(=C3)[N+](=O)[O-])S(=O)(=O)O.CC(=O)C1=CC(=C(C=C1O)O)N/N=C/2\C(=O)C=C(C3=C2C=CC(=C3)[N+](=O)[O-])S(=O)(=O)O.[Na+].[Na+].[Fe] > 415 > 996.996799 > 3 > 65 > 0 > 0 > 2 > 0 > 0 > 6 > 992 > 1 10 6 1 11 6 1 6 6 1 7 6 1 8 6 1 9 6 > 1 5 255 > 32 42 8 32 46 8 33 43 8 33 47 8 40 45 8 40 50 8 41 44 8 41 51 8 42 48 8 43 49 8 44 54 8 45 55 8 46 52 8 47 53 8 48 56 8 49 57 8 50 58 8 51 59 8 52 56 8 53 57 8 54 60 8 55 61 8 58 61 8 59 60 8 $$$$