| Properties | Image |
MNX_ID | MNXM1108236 |
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reference | seedM:cpd20039 |
formula | C13H9ClN4O6S |
global charge | -2 |
mol weight | 384.757 |
InChIKey | SWYFZSBPQRGVBE-UHFFFAOYSA-L |
InChI | InChI=1S/C13H11ClN4O6S/c1-24-10-6-9(14)15-12(16-10)17-13(21)18-25(22,23)8-5-3-2-4-7(8)11(19)20/h2-6H,1H3,(H3,15,16,17,18,19,20,21)/p-2 |
SMILES | COC1=CC(Cl)=NC(NC(=O)[N-]S(=O)(=O)C2=CC=CC=C2C(=O)[O-])=N1 |
MNX internals
InChI (mnx) | InChI=1/C13H11ClN4O6S/c1-24-10-6-9(14)15-12(16-10)17-13(21)18-25(22,23)8-5-3-2-4-7(8)11(19)20/h2-6H,1H3,(H3,15,16,17,18,19,20,21) |
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SMILES (mnx) | [CH3:1][O:24][C:10]1=[N:16][C:12]([N-:17][C:13]([NH:18][S:25]([C:8]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:7]2[C:11](=[O:19])[OH:20])(=[O:22])=[O:23])=[O:21])=[NH+:15][C:9]([Cl:14])=[CH:6]1 |
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