67788054 -OEChem-03292409442D 18 17 0 1 0 0 0 0 0999 V2000 3.3660 1.0000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 2.6550 0.0000 Na 0 4 0 0 0 0 0 0 0 0 0 0 4.2320 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 5.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 3 8 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 M CHG 1 4 -1 M RAD 1 2 2 M END > 67788054 > 1 > 139 > 5 > 1 > 1 > AAADcYBiMCBAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQAAAACAyBkAAwxoBAAACAACRCQCCCAAAgIgAIiAAGbIgIJiKAkZOAMABk0BEIyAewQAAAAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA== > InChI=1S/C6H7NO3S.Na/c7-5-1-3-6(4-2-5)10-11(8)9;/h1-4H,7H2,(H,8,9);/p-1 > TVRWDVAOFZUNRU-UHFFFAOYSA-M > 194.99660851 > C6H6NNaO3S- > 195.17 > C1=CC(=CC=C1N)OS(=O)[O-].[Na] > C1=CC(=CC=C1N)OS(=O)[O-].[Na] > 94.6 > 194.99660851 > -1 > 12 > 0 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 10 12 8 7 10 8 7 9 8 8 11 8 8 12 8 9 11 8 $$$$