2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoic acid sulfate

Systemtic Name: 2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoic acid sulfate Openeye Name: 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid sulfate CAS Name: 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid sulfate IUPAC Name: 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid sulfate Traditional Name: 2-amino-3-(3,4-dihydroxyphenyl)propionic acid sulfate Formula: C9H11NO8S-2 MolecularWeight: 293.25054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)O)N)O)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1CC(C(=O)O)N)O)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C9H11NO4.H2O4S/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5;1-5(2,3)4/h1-2,4,6,11-12H,3,10H2,(H,13,14);(H2,1,2,3,4)/p-2