3-[3-(2-azanylethyl)phenyl]peroxy-3-oxidanylidene-propanoate sulfate

Systemtic Name: 3-[3-(2-azanylethyl)phenyl]peroxy-3-oxidanylidene-propanoate sulfate Openeye Name: 3-[3-(2-aminoethyl)phenyl]peroxy-3-oxo-propanoate sulfate CAS Name: 3-[3-(2-aminoethyl)phenyl]dioxy-3-oxopropanoate sulfate IUPAC Name: 3-[3-(2-aminoethyl)phenyl]peroxy-3-oxopropanoate sulfate Traditional Name: 3-[3-(2-aminoethyl)phenyl]peroxy-3-keto-propionate sulfate Formula: C11H12NO9S-3 MolecularWeight: 334.27928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OOC(=O)CC(=O)[O-])CCN.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OOC(=O)CC(=O)[O-])CCN.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C11H13NO5.H2O4S/c12-5-4-8-2-1-3-9(6-8)16-17-11(15)7-10(13)14;1-5(2,3)4/h1-3,6H,4-5,7,12H2,(H,13,14);(H2,1,2,3,4)/p-3