| Properties | Image |
| MNX_ID | MNXM39991 |
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| reference | keggD:D07061 |
| formula | C14H13N2NaO4S |
| global charge | 0 |
| mol weight | 328.325 |
| InChIKey | GPNYXGDUKNYCNI-UHFFFAOYSA-M |
| InChI | InChI=1S/C14H14N2O4S.Na/c15-10-1-5-12(6-2-10)21(19,20)13-7-3-11(4-8-13)16-9-14(17)18;/h1-8,16H,9,15H2,(H,17,18);/q;+1/p-1 |
| SMILES | NC1=CC=C(S(=O)(=O)C2=CC=C(NCC(=O)[O-])C=C2)C=C1.[Na+] |
MNX internals
| InChI (mnx) | InChI=1/C14H14N2O4S.Na/c15-10-1-5-12(6-2-10)21(19,20)13-7-3-11(4-8-13)16-9-14(17)18;/h1-8,16H,9,15H2,(H,17,18);/q;+1 |
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| SMILES (mnx) | [CH:1]1=[CH:5][C:12]([S:21]([C:13]2=[CH:8][CH:4]=[C:11]([NH:16][CH2:9][C:14](=[O:17])[OH:18])[CH:3]=[CH:7]2)(=[O:19])=[O:20])=[CH:6][CH:2]=[C:10]1[NH2:15].[Na+:22] |
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