sodium; 2-azanyl-3-(4-hydroxyphenyl)propanoic acid; hydrogen sulfate

Systemtic Name: sodium; 2-azanyl-3-(4-hydroxyphenyl)propanoic acid; hydrogen sulfate Openeye Name: sodium; 2-amino-3-(4-hydroxyphenyl)propanoic acid; hydrogen sulfate CAS Name: sodium; 2-amino-3-(4-hydroxyphenyl)propanoic acid; hydrogen sulfate IUPAC Name: sodium; 2-amino-3-(4-hydroxyphenyl)propanoic acid; hydrogen sulfate Traditional Name: sodium 2-amino-3-(4-hydroxyphenyl)propionic acid bisulfate Formula: C9H12NNaO7S MolecularWeight: 301.24885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)O.OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)N)O.OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H11NO3.Na.H2O4S/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;;1-5(2,3)4/h1-4,8,11H,5,10H2,(H,12,13);;(H2,1,2,3,4)/q;+1;/p-1