12 13 0 0000 0 0 0 0 0999 V2000 3.9811 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.5661 -1.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.3491 -2.3396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 3.5661 -3.4151 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 3.2925 -4.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.5566 -4.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.3019 -3.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3019 -1.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1509 -1.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1509 -3.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 8 1 0 3 4 1 0 4 5 2 0 4 6 2 0 4 7 1 0 7 8 2 0 7 12 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 M END > InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9) > CVHZOJJKTDOEJC-UHFFFAOYSA-N > 1/1/N:10,11,9,12,8,7,2,3,1,5,6,4/E:(10,11)/CRV:12.6/rA:12nOCNSOOCCCCCC/rB:d1;s2;s3;d4;d4;s4;s2d7;s8;d9;s10;s7d11;/rC:3.9811,0,0;3.5661,-1.2642,0;4.3491,-2.3396,0;3.5661,-3.4151,0;3.2925,-4.717,0;4.5566,-4.3066,0;2.3019,-3.0047,0;2.3019,-1.6745,0;1.1509,-1.0094,0;0,-1.6745,0;0,-3.0047,0;1.1509,-3.6698,0; > C7 H5 N O3 S > 183.1845 > O=C1C2C=CC=CC=2S(=O)(=O)N1 > 4959 $$$$