[1-(4-azanylperoxysulfanylphenyl)-2-oxidanylidene-propyl] but-2-ynoate

Systemtic Name: [1-(4-azanylperoxysulfanylphenyl)-2-oxidanylidene-propyl] but-2-ynoate Openeye Name: [1-(4-aminoperoxysulfanylphenyl)-2-oxo-propyl] but-2-ynoate CAS Name: 2-butynoic acid [1-[4-(aminodioxythio)phenyl]-2-oxopropyl] ester IUPAC Name: [1-(4-aminoperoxysulfanylphenyl)-2-oxopropyl] but-2-ynoate Traditional Name: but-2-ynoic acid [1-[4-(aminoperoxythio)phenyl]-2-keto-propyl] ester Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)OC(C1=CC=C(C=C1)SOON)C(=O)C

Isomeric SMILES

CC#CC(=O)OC(C1=CC=C(C=C1)SOON)C(=O)C

InChI

InChI=1S/C13H13NO5S/c1-3-4-12(16)17-13(9(2)15)10-5-7-11(8-6-10)20-19-18-14/h5-8,13H,14H2,1-2H3