6536776 -OEChem-05132417282D 62 64 0 0 0 0 0 0 0999 V2000 9.7942 -4.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.9282 -6.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.7942 -5.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.7942 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3660 5.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 3.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5542 -3.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5542 -1.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 2.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6141 1.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 -3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 1.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7161 0.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5470 -4.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5470 -0.8454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2887 2.8093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1546 1.1547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9960 -3.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9960 -1.6671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2759 1.1436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7185 0.3107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 22 1 0 0 0 0 2 8 1 0 0 0 0 2 9 2 0 0 0 0 2 10 2 0 0 0 0 2 23 1 0 0 0 0 11 41 2 0 0 0 0 12 42 2 0 0 0 0 13 44 1 0 0 0 0 13 62 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 14 53 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 15 54 1 0 0 0 0 16 38 2 0 0 0 0 17 39 2 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 18 30 2 0 0 0 0 19 24 1 0 0 0 0 19 31 2 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 32 2 0 0 0 0 21 25 1 0 0 0 0 21 33 2 0 0 0 0 22 26 2 0 0 0 0 23 28 2 0 0 0 0 24 27 2 0 0 0 0 25 29 2 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 30 34 1 0 0 0 0 30 49 1 0 0 0 0 31 35 1 0 0 0 0 31 50 1 0 0 0 0 32 36 1 0 0 0 0 32 51 1 0 0 0 0 33 37 1 0 0 0 0 33 52 1 0 0 0 0 34 35 2 0 0 0 0 34 55 1 0 0 0 0 35 56 1 0 0 0 0 36 37 2 0 0 0 0 36 57 1 0 0 0 0 37 58 1 0 0 0 0 38 41 1 0 0 0 0 38 42 1 0 0 0 0 39 41 1 0 0 0 0 39 43 1 0 0 0 0 40 42 1 0 0 0 0 40 43 2 0 0 0 0 40 44 1 0 0 0 0 43 59 1 0 0 0 0 44 60 1 0 0 0 0 44 61 1 0 0 0 0 M CHG 4 3 1 4 1 5 -1 8 -1 M END > 6536776 > 1 > 1350 > 13 > 3 > 5 > AAADceB7vDBgAAAAAAAAAAAAAAAAAAAAAAAwYMGCAAAAAADBVAAAHgQYCAAADAyh2AIwwcBiAgKoA6RyQHDSBEAgAgAYiBkwZNgINDaIkZGAcABkuAAI2YeYxKAOgAQAwAAWAAAACAGAACwAAAAAAAAAAA== > disodium;4-[(2Z)-2-[(5E)-3-(hydroxymethyl)-4,6-dioxo-5-[(4-sulfonato-1-naphthyl)hydrazono]cyclohex-2-en-1-ylidene]hydrazino]naphthalene-1-sulfonate > disodium;4-[(2Z)-2-[(5E)-3-(hydroxymethyl)-4,6-dioxo-5-[(4-sulfonato-1-naphthalenyl)hydrazinylidene]-1-cyclohex-2-enylidene]hydrazinyl]-1-naphthalenesulfonate > disodium;4-[(2Z)-2-[(5E)-3-(hydroxymethyl)-4,6-dioxo-5-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-1-sulfonate > disodium;4-[(2Z)-2-[(5E)-3-(hydroxymethyl)-4,6-dioxo-5-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-1-sulfonate > disodium;4-[(2Z)-2-[(5E)-3-(hydroxymethyl)-4,6-bis(oxidanylidene)-5-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-1-sulfonate > disodium;4-[(N'Z)-N'-[(5E)-4,6-diketo-3-methylol-5-[(4-sulfonato-1-naphthyl)hydrazono]cyclohex-2-en-1-ylidene]hydrazino]naphthalene-1-sulfonate > InChI=1S/C27H20N4O9S2.2Na/c32-14-15-13-22(30-28-20-9-11-23(41(35,36)37)18-7-3-1-5-16(18)20)27(34)25(26(15)33)31-29-21-10-12-24(42(38,39)40)19-8-4-2-6-17(19)21;;/h1-13,28-29,32H,14H2,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/b30-22-,31-25+;; > TUQJHVRCALPCHU-QPRXZMCZSA-L > 652.03105908 > C27H18N4Na2O9S2 > 652.6 > C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C=C(C(=O)C(=NNC4=CC=C(C5=CC=CC=C54)S(=O)(=O)[O-])C3=O)CO.[Na+].[Na+] > C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N/N=C\3/C=C(C(=O)/C(=N\NC4=CC=C(C5=CC=CC=C54)S(=O)(=O)[O-])/C3=O)CO.[Na+].[Na+] > 234 > 652.03105908 > 0 > 44 > 0 > 0 > 2 > 0 > 0 > 3 > 17 > 1 5 255 > 18 19 8 18 22 8 18 30 8 19 24 8 19 31 8 20 21 8 20 23 8 20 32 8 21 25 8 21 33 8 22 26 8 23 28 8 24 27 8 25 29 8 26 27 8 28 29 8 30 34 8 31 35 8 32 36 8 33 37 8 34 35 8 36 37 8 38 41 8 38 42 8 39 41 8 39 43 8 40 42 8 40 43 8 $$$$