3052774 -OEChem-03282413302D 33 33 0 0 0 0 0 0 0999 V2000 4.5576 -0.9376 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 -1.6370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9904 -3.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7551 0.3704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2888 3.1328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0544 0.0102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8314 -1.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2198 -1.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8711 2.4283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3177 -0.6589 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2332 2.2192 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0576 0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0576 0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7486 -0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5256 -1.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0609 0.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4699 1.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 -0.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7825 -2.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0119 -0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8766 2.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6454 1.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -2.1628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1005 -1.4048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3519 0.5577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5723 0.3920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9558 1.7569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0392 0.9642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5296 -3.6992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3447 0.1788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5410 3.6992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 19 1 0 0 0 0 2 30 1 0 0 0 0 3 20 1 0 0 0 0 3 31 1 0 0 0 0 4 21 1 0 0 0 0 4 32 1 0 0 0 0 5 22 1 0 0 0 0 5 33 1 0 0 0 0 6 19 2 0 0 0 0 7 20 2 0 0 0 0 8 21 2 0 0 0 0 9 22 2 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 23 3 0 0 0 0 12 14 2 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 18 1 0 0 0 0 14 23 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 17 21 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 18 22 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 M END > 3052774 > 1 > 555 > 11 > 4 > 8 > AAADccBzPABAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAABgAAAHgQACAAADADB2AQAiYMAAgicBgDQSACjAIBlCBgAiBGITMgKpjLglLGEUQhkwAH42Q6YNwIOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 5-[bis(carboxymethyl)amino]-3-(carboxymethyl)-4-cyano-thiophene-2-carboxylic acid > 5-[bis(carboxymethyl)amino]-3-(carboxymethyl)-4-cyano-2-thiophenecarboxylic acid > 5-[bis(carboxymethyl)amino]-3-(carboxymethyl)-4-cyanothiophene-2-carboxylic acid > 5-[bis(carboxymethyl)amino]-3-(carboxymethyl)-4-cyanothiophene-2-carboxylic acid > 5-[bis(2-hydroxy-2-oxoethyl)amino]-4-cyano-3-(2-hydroxy-2-oxoethyl)thiophene-2-carboxylic acid > 5-[bis(carboxymethyl)amino]-3-(carboxymethyl)-4-cyano-2-thenoic acid > InChI=1S/C12H10N2O8S/c13-2-6-5(1-7(15)16)10(12(21)22)23-11(6)14(3-8(17)18)4-9(19)20/h1,3-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22) > DJSXNILVACEBLP-UHFFFAOYSA-N > 0.3 > 342.01578646 > C12H10N2O8S > 342.28 > C(C1=C(SC(=C1C#N)N(CC(=O)O)CC(=O)O)C(=O)O)C(=O)O > C(C1=C(SC(=C1C#N)N(CC(=O)O)CC(=O)O)C(=O)O)C(=O)O > 205 > 342.01578646 > 0 > 23 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 12 8 1 15 8 12 14 8 13 14 8 13 15 8 $$$$