2-azanyl-3-[3,4,4-tris(oxidanyl)cyclohexa-2,5-dien-1-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[3,4,4-tris(oxidanyl)cyclohexa-2,5-dien-1-yl]propanoic acid Openeye Name: 2-amino-3-(3,4,4-trihydroxycyclohexa-2,5-dien-1-yl)propanoic acid CAS Name: 2-amino-3-(3,4,4-trihydroxy-1-cyclohexa-2,5-dienyl)propanoic acid IUPAC Name: 2-amino-3-(3,4,4-trihydroxycyclohexa-2,5-dien-1-yl)propanoic acid Traditional Name: 2-amino-3-(3,4,4-trihydroxycyclohexa-2,5-dien-1-yl)propionic acid Formula: C9H13NO5 MolecularWeight: 215.20322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C(=CC1CC(C(=O)O)N)O)(O)O

Isomeric SMILES

C1=CC(C(=CC1CC(C(=O)O)N)O)(O)O

InChI

InChI=1S/C9H13NO5/c10-6(8(12)13)3-5-1-2-9(14,15)7(11)4-5/h1-2,4-6,11,14-15H,3,10H2,(H,12,13)