70582625 -OEChem-03292404262D 46 46 0 1 0 0 0 0 0999 V2000 3.9266 1.1200 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 5.1114 0.0000 Na 0 4 0 0 0 0 0 0 0 0 0 0 3.0606 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7926 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5236 6.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3838 7.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5352 5.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3723 8.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 5.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2324 8.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6866 4.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7926 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2209 9.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7926 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5926 3.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9266 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6866 2.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9266 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5926 2.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0811 10.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0606 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0606 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3049 7.2446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9144 6.5498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6026 6.5944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9931 7.2892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7540 5.0845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1445 5.7793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1535 8.7545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7630 8.0597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4562 5.7347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0657 5.0399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4512 8.1043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 8.7991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 10.2645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6116 9.5696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1284 3.9529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9266 4.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6794 1.4654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1284 2.2871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3973 9.6610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6144 10.5105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7649 10.7276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5236 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5236 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0606 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 18 1 0 0 0 0 3 46 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 13 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 20 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 19 2 0 0 0 0 15 37 1 0 0 0 0 16 21 2 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 18 22 2 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 M RAD 1 2 2 M END > 70582625 > 1 > 318 > 3 > 1 > 8 > AAADceB4MCBAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAGAQACAAADACAWAAyAcAAAIKAAiBCAGBCAEAgAAAIiBgAAIgIICKAERCAIAAggAAIiAcAgMAOgAACgAAUAAAAAAUAACgAAAAAAAAAAA== > InChI=1S/C18H24O2S.Na/c1-2-3-4-5-6-7-10-15-11-8-13-17-16(15)12-9-14-18(17)21(19)20;/h8-9,11-14H,2-7,10H2,1H3,(H,19,20); > KOXSKNXFLSYGTQ-UHFFFAOYSA-N > 327.13947046 > C18H24NaO2S > 327.4 > CCCCCCCCC1=C2C=CC=C(C2=CC=C1)S(=O)O.[Na] > CCCCCCCCC1=C2C=CC=C(C2=CC=C1)S(=O)O.[Na] > 56.5 > 327.13947046 > 0 > 22 > 0 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 11 12 8 11 15 8 12 14 8 12 16 8 14 17 8 14 18 8 15 19 8 16 21 8 17 19 8 18 22 8 21 22 8 $$$$