66898 -OEChem-03282415332D 30 30 0 0 0 0 0 0 0999 V2000 4.5981 1.9400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 2.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 1.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -2.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -3.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -3.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -2.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -3.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -3.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 0.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 2.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 13 1 0 0 0 0 2 30 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 M END > 66898 > 1 > 226 > 4 > 2 > 4 > AAADceByMABAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAHAQQCAAACCjFQASAAALAAIIAAAAAAHBAAAAAAAAAAIAIAAAAAAIAgAAEAAAAEACAAAEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-(cyclohexylamino)ethanesulfonic acid > 2-(cyclohexylamino)ethanesulfonic acid > 2-(cyclohexylamino)ethanesulfonic acid > 2-(cyclohexylamino)ethanesulfonic acid > 2-(cyclohexylamino)ethanesulfonic acid > 2-(cyclohexylamino)ethanesulfonic acid > InChI=1S/C8H17NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11,12) > MKWKNSIESPFAQN-UHFFFAOYSA-N > -1.2 > 207.09291458 > C8H17NO3S > 207.29 > C1CCC(CC1)NCCS(=O)(=O)O > C1CCC(CC1)NCCS(=O)(=O)O > 74.8 > 207.09291458 > 0 > 13 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 $$$$