azanium 5-methoxy-2-methyl-4-(3-oxobutanoylamino)benzenesulfonate
Molecular Formula:
C12H18N2O6S
InChI: InChI=1/C12H15NO6S.H3N/c1-7-4-9(13-12(15)5-8(2)14)10(19-3)6-11(7)20(16,17)18;/h4,6H,5H2,1-3H3,(H,13,15)(H,16,17,18);1H3/fC12H14NO6S.H4N/h13H;1H/q-1;+1
InChIKey: InChIKey=ZPDRZMNAFLBUOA-CPFVIVHRCU
SMILES: CC1=CC(=C(C=C1S(=O)(=O)[O-])OC)NC(=O)CC(=O)C.[NH4+]
Names:
azanium 5-methoxy-2-methyl-4-(3-oxobutanoylamino)benzenesulfonate
Registries:
PubChem CID 175114
PubChem ID 10258171
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