8273 -OEChem-03282412322D 45 48 0 0 0 0 0 0 0999 V2000 7.8404 -2.1021 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.4044 2.6995 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.2971 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.4924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 -2.8835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3709 -3.2487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6571 -0.2764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4488 3.1187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6730 -0.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3709 0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0813 0.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3931 0.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2594 -1.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0413 1.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0760 0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0857 1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2541 -1.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7339 1.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6624 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 2.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4843 1.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 1.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7177 0.8302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9775 0.0135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0062 -1.9608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6475 0.8760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0503 1.0905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 1.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9184 1.5968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2379 2.2410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5017 1.7647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 1.0285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0206 -0.7786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8426 3.2487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 2 0 0 0 0 3 11 1 0 0 0 0 4 9 1 0 0 0 0 7 26 1 0 0 0 0 7 44 1 0 0 0 0 8 27 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 17 2 0 0 0 0 12 15 1 0 0 0 0 12 18 2 0 0 0 0 13 16 1 0 0 0 0 13 19 2 0 0 0 0 14 20 1 0 0 0 0 14 30 1 0 0 0 0 15 21 2 0 0 0 0 15 31 1 0 0 0 0 16 22 2 0 0 0 0 16 32 1 0 0 0 0 17 23 1 0 0 0 0 17 33 1 0 0 0 0 18 24 1 0 0 0 0 18 34 1 0 0 0 0 19 25 1 0 0 0 0 19 35 1 0 0 0 0 20 23 2 0 0 0 0 20 36 1 0 0 0 0 21 26 1 0 0 0 0 21 28 1 0 0 0 0 22 27 1 0 0 0 0 22 29 1 0 0 0 0 23 37 1 0 0 0 0 24 26 2 0 0 0 0 25 27 2 0 0 0 0 28 38 1 0 0 0 0 28 39 1 0 0 0 0 28 40 1 0 0 0 0 29 41 1 0 0 0 0 29 42 1 0 0 0 0 29 43 1 0 0 0 0 M END > 8273 > 1 > 680 > 5 > 2 > 2 > AAADceB4OABAGAAAAAAAAAAAAAAAASAAAAAwYMAAAAAAAEgBUAAAGgRACAABrESA2AAyB4AAAgKAAiBCAHBCAEAgIAQIiBgECKgIJiKCERKAcAAkwBEImheA4PQOoAACEAAMBABAAAQgABgIAAAAAAAAAA== > 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methyl-phenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-6-methyl-phenol > 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-6-methylphenol > 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-6-methylphenol > 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-6-methylphenol > 2-bromanyl-4-[3-(3-bromanyl-5-methyl-4-oxidanyl-phenyl)-1,1-bis(oxidanylidene)-2,1lambda6-benzoxathiol-3-yl]-6-methyl-phenol > 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methyl-phenyl)-1,1-diketo-2,1lambda6-benzoxathiol-3-yl]-6-methyl-phenol > InChI=1S/C21H16Br2O5S/c1-11-7-13(9-16(22)19(11)24)21(14-8-12(2)20(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28-21/h3-10,24-25H,1-2H3 > ABIUHPWEYMSGSR-UHFFFAOYSA-N > 5.1 > 539.90647 > C21H16Br2O5S > 540.2 > CC1=CC(=CC(=C1O)Br)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)C)O)Br > CC1=CC(=CC(=C1O)Br)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)C)O)Br > 92.2 > 537.90852 > 0 > 29 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 11 8 10 14 8 11 17 8 12 15 8 12 18 8 13 16 8 13 19 8 14 20 8 15 21 8 16 22 8 17 23 8 18 24 8 19 25 8 20 23 8 21 26 8 22 27 8 24 26 8 25 27 8 $$$$