4766 -OEChem-03282413402D 39 42 0 0 0 0 0 0 0999 V2000 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 2.8660 -2.4924 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 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 2.0000 -1.9924 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 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 2.8660 0.1276 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 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 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 7.3292 0.9968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 1.5551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6176 -1.7943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1496 2.4176 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 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 9 1 0 0 0 0 2 7 1 0 0 0 0 5 24 1 0 0 0 0 5 38 1 0 0 0 0 6 25 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 10 14 2 0 0 0 0 10 16 1 0 0 0 0 11 15 2 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 26 1 0 0 0 0 13 19 1 0 0 0 0 13 27 1 0 0 0 0 14 20 1 0 0 0 0 14 28 1 0 0 0 0 15 21 1 0 0 0 0 15 29 1 0 0 0 0 16 22 2 0 0 0 0 16 30 1 0 0 0 0 17 23 2 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 24 2 0 0 0 0 20 34 1 0 0 0 0 21 25 2 0 0 0 0 21 35 1 0 0 0 0 22 24 1 0 0 0 0 22 36 1 0 0 0 0 23 25 1 0 0 0 0 23 37 1 0 0 0 0 M END > 4766 > 1 > 545 > 5 > 2 > 2 > AAADccB4OABAAAAAAAAAAAAAAAAAASAAAAAwYMAAAAAAAEgBUAAAGgQACAAADESA2AAwB4AAAgKAAiBCAHBCAEAgIAAIiBgGCIgIJiKCERKAcAAkwBEImAeA4PQOoAAAAAAEAABAAAAAAAgAAAAAAAAAAA== > 4-[3-(4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol > 4-[3-(4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol > 4-[3-(4-hydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]phenol > 4-[3-(4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol > 4-[3-(4-hydroxyphenyl)-1,1-bis(oxidanylidene)-2,1lambda6-benzoxathiol-3-yl]phenol > 4-[3-(4-hydroxyphenyl)-1,1-diketo-2,1lambda6-benzoxathiol-3-yl]phenol > InChI=1S/C19H14O5S/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24-19/h1-12,20-21H > BELBBZDIHDAJOR-UHFFFAOYSA-N > 3 > 354.05619472 > C19H14O5S > 354.4 > C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O > C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O > 92.2 > 354.05619472 > 0 > 25 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 1 5 255 > 10 14 8 10 16 8 11 15 8 11 17 8 12 18 8 13 19 8 14 20 8 15 21 8 16 22 8 17 23 8 18 19 8 20 24 8 21 25 8 22 24 8 23 25 8 8 12 8 8 9 8 9 13 8 $$$$