2-[4-(3-oxidanylidenebutanoylamino)phenyl]sulfonylethyl hydrogen sulfate

Systemtic Name: 2-[4-(3-oxidanylidenebutanoylamino)phenyl]sulfonylethyl hydrogen sulfate Openeye Name: 2-[4-(3-oxobutanoylamino)phenyl]sulfonylethyl hydrogen sulfate CAS Name: sulfuric acid 2-[4-(1,3-dioxobutylamino)phenyl]sulfonylethyl ester IUPAC Name: 2-[4-(3-oxobutanoylamino)phenyl]sulfonylethyl hydrogen sulfate Traditional Name: sulfuric acid 2-[4-(acetoacetylamino)phenyl]sulfonylethyl ester Formula: C12H15NO8S2 MolecularWeight: 365.3794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)CCOS(=O)(=O)O

Isomeric SMILES

CC(=O)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)CCOS(=O)(=O)O

InChI

InChI=1S/C12H15NO8S2/c1-9(14)8-12(15)13-10-2-4-11(5-3-10)22(16,17)7-6-21-23(18,19)20/h2-5H,6-8H2,1H3,(H,13,15)(H,18,19,20)