ethyl 2-azanyl-3-phenyl-propanoate; iron(2+); sulfate

Systemtic Name: ethyl 2-azanyl-3-phenyl-propanoate; iron(2+); sulfate Openeye Name: ferrous ethyl 2-amino-3-phenyl-propanoate sulfate CAS Name: 2-amino-3-phenylpropanoic acid ethyl ester; iron(2+); sulfate IUPAC Name: ethyl 2-amino-3-phenylpropanoate; iron(2+); sulfate Traditional Name: ferrous 2-amino-3-phenyl-propionic acid ethyl ester sulfate Formula: C22H30FeN2O8S MolecularWeight: 538.3922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)N.CCOC(=O)C(CC1=CC=CC=C1)N.[O-]S(=O)(=O)[O-].[Fe+2]

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)N.CCOC(=O)C(CC1=CC=CC=C1)N.[O-]S(=O)(=O)[O-].[Fe+2]

InChI

InChI=1S/2C11H15NO2.Fe.H2O4S/c2*1-2-14-11(13)10(12)8-9-6-4-3-5-7-9;;1-5(2,3)4/h2*3-7,10H,2,8,12H2,1H3;;(H2,1,2,3,4)/q;;+2;/p-2