2-azanyl-3-(3,4-diphosphonooxyphenyl)propanoic acid

Systemtic Name: 2-azanyl-3-(3,4-diphosphonooxyphenyl)propanoic acid Openeye Name: 2-amino-3-(3,4-diphosphonooxyphenyl)propanoic acid CAS Name: 2-amino-3-(3,4-diphosphonooxyphenyl)propanoic acid IUPAC Name: 2-amino-3-(3,4-diphosphonooxyphenyl)propanoic acid Traditional Name: 2-amino-3-(3,4-diphosphonooxyphenyl)propionic acid Formula: C9H13NO10P2 MolecularWeight: 357.147742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)O)N)OP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

C1=CC(=C(C=C1CC(C(=O)O)N)OP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C9H13NO10P2/c10-6(9(11)12)3-5-1-2-7(19-21(13,14)15)8(4-5)20-22(16,17)18/h1-2,4,6H,3,10H2,(H,11,12)(H2,13,14,15)(H2,16,17,18)