10 8 0 0000 0 0 0 0 0999 V2000 4.5599 -7.1011 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.2246 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 1.5229 -8.8543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.7448 -0.9386 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 3.0370 -6.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.5229 -7.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.6922 -0.3984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 1.8063 -1.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 2.2047 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 3.2938 -1.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 2 6 1 0 3 6 2 0 4 7 1 0 4 8 1 0 4 9 1 0 4 10 1 0 5 6 1 0 M CHG 2 2 -1 4 1 M END > InChI=1S/C2H4O2S.H3N/c3-2(4)1-5;/h5H,1H2,(H,3,4);1H3 > ZZTCCAPMZLDHFM-UHFFFAOYSA-N > 1/1/N:5,6,2,3,1;4/E:(3,4);/rA:13nSO-ON+CCHHHHHHH/rB:;;;s1;s2d3s5;s5;s5;s1;s4;s4;s4;s4;/rC:4.5599,-7.1011,0;0,-6.2246,0;1.5229,-8.8543,0;2.7448,-.9386,0;3.037,-6.2246,0;1.5229,-7.1011,0;3.7365,-5.3923,0;2.3375,-5.3923,0;5.4985,-6.561,0;3.6922,-.3984,0;1.8063,-1.4875,0;2.2047,0,0;3.2938,-1.886,0; > C2 H7 N O2 S > 109.1475 > S([H])C([H])([H])C(=O)[O-].[N+]([H])([H])([H])[H] > 20239 $$$$