10 9 0 0001 0 0 0 0 0999 V2000 4.5866 -2.0225 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 3.9240 -3.1749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 5.5316 -2.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 5.7621 -1.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.1524 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.3106 -3.3247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 3.4515 -1.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3106 -1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1524 -1.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 2 0 1 4 1 0 1 8 1 0 5 10 2 0 6 10 1 0 9 7 1 6 8 9 1 0 9 10 1 0 M END > InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 > XVOYSCVBGLVSOL-REOHCLBHSA-N > 1/1/N:8,9,10,7,5,6,2,3,4,1/E:(5,6)(7,8,9)/it:im/CRV:10.6/rA:10cSOOOOONCCC/rB:d1;d1;s1;;;;s1;n7s8;d5s6s9;/rC:4.5866,-2.0225,0;3.924,-3.1749,0;5.5316,-2.9675,0;5.7621,-1.4002,0;1.1524,0,0;0,-1.9937,0;2.3106,-3.3247,0;3.4515,-1.331,0;2.3106,-1.9937,0;1.1524,-1.331,0; > C3 H7 N O5 S > 169.1564 > S(C[C@@H](C(O)=O)N)(O)(=O)=O > 65718 $$$$