6450 -OEChem-05072410202D 63 66 0 0 0 0 0 0 0999 V2000 8.4029 -2.2671 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.9668 2.5345 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.2407 -2.4621 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8243 -1.6574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0508 -3.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9334 -3.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2195 -0.4414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0113 2.9537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2407 -0.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2945 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2354 -0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9334 0.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2945 -2.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8218 -1.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6038 0.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6438 0.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9556 0.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4285 -0.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6384 0.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6482 1.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4285 -2.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0468 1.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6704 1.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8165 -1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2964 1.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2248 -0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3186 2.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4135 -2.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5554 1.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -2.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0415 1.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4604 1.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 2.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2802 0.6652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5399 -0.1515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4285 -0.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4285 -3.2774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4103 0.6764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0861 1.9298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0255 -0.8474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8475 -2.2196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1603 -3.0387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9795 -2.7259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7459 0.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1454 1.3389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3648 1.7383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0255 -2.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1052 0.6647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6582 1.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9777 1.8982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9626 2.3522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0968 2.4909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9582 1.6251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9530 2.6119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1725 3.0113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7731 2.2307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 1.1434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5843 0.2677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 0.3121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5831 -0.9437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4269 3.4137 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 13 1 0 0 0 0 4 9 1 0 0 0 0 7 26 1 0 0 0 0 7 62 1 0 0 0 0 8 27 1 0 0 0 0 8 63 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 18 2 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 13 21 2 0 0 0 0 14 24 1 0 0 0 0 14 29 1 0 0 0 0 15 25 1 0 0 0 0 15 30 1 0 0 0 0 16 19 2 0 0 0 0 16 36 1 0 0 0 0 17 20 2 0 0 0 0 17 37 1 0 0 0 0 18 28 1 0 0 0 0 18 38 1 0 0 0 0 19 22 1 0 0 0 0 19 26 1 0 0 0 0 20 23 1 0 0 0 0 20 27 1 0 0 0 0 21 31 1 0 0 0 0 21 39 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 22 40 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 25 27 2 0 0 0 0 28 31 2 0 0 0 0 28 42 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 34 56 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 35 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 M END > 6450 > 1 > 818 > 5 > 2 > 4 > AAADceB4OABAGAAAAAAAAAAAAAAAASAAAAAwYMAAAAAAAEgBUAAAGgRACAABrUSA2AAyB4AAAgKAAiBCAHBCAEAgIAQIiBgECKgIJiKCERKAcAAkwBEImheA4PQO4AADEAAchADAAAYgADkIAAAAAAAAAA== > 2-bromo-4-[3-(3-bromo-4-hydroxy-5-isopropyl-2-methyl-phenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-6-isopropyl-3-methyl-phenol > 2-bromo-4-[3-(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-3-methyl-6-propan-2-ylphenol > 2-bromo-4-[3-(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methyl-6-propan-2-ylphenol > 2-bromo-4-[3-(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-3-methyl-6-propan-2-ylphenol > 2-bromanyl-4-[3-(3-bromanyl-2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-1,1-bis(oxidanylidene)-2,1lambda6-benzoxathiol-3-yl]-3-methyl-6-propan-2-yl-phenol > 2-bromo-4-[3-(3-bromo-4-hydroxy-5-isopropyl-2-methyl-phenyl)-1,1-diketo-2,1lambda6-benzoxathiol-3-yl]-6-isopropyl-3-methyl-phenol > InChI=1S/C27H28Br2O5S/c1-13(2)17-11-20(15(5)23(28)25(17)30)27(19-9-7-8-10-22(19)35(32,33)34-27)21-12-18(14(3)4)26(31)24(29)16(21)6/h7-14,30-31H,1-6H3 > NUHCTOLBWMJMLX-UHFFFAOYSA-N > 7.6 > 624.00037 > C27H28Br2O5S > 624.4 > CC1=C(C=C(C(=C1Br)O)C(C)C)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C(=C(C(=C4)C(C)C)O)Br)C > CC1=C(C=C(C(=C1Br)O)C(C)C)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C(=C(C(=C4)C(C)C)O)Br)C > 92.2 > 622.00242 > 0 > 35 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 13 8 10 18 8 11 14 8 11 16 8 12 15 8 12 17 8 13 21 8 14 24 8 15 25 8 16 19 8 17 20 8 18 28 8 19 26 8 20 27 8 21 31 8 24 26 8 25 27 8 28 31 8 $$$$