3-[3-[3,4,5-tris(oxidanyl)phenyl]propanoylamino]benzoic acid

Systemtic Name: 3-[3-[3,4,5-tris(oxidanyl)phenyl]propanoylamino]benzoic acid Openeye Name: 3-[3-(3,4,5-trihydroxyphenyl)propanoylamino]benzoic acid CAS Name: 3-[[1-oxo-3-(3,4,5-trihydroxyphenyl)propyl]amino]benzoic acid IUPAC Name: 3-[3-(3,4,5-trihydroxyphenyl)propanoylamino]benzoic acid Traditional Name: 3-[3-(3,4,5-trihydroxyphenyl)propanoylamino]benzoic acid Formula: C16H15NO6 MolecularWeight: 317.2934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCC2=CC(=C(C(=C2)O)O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCC2=CC(=C(C(=C2)O)O)O)C(=O)O

InChI

InChI=1S/C16H15NO6/c18-12-6-9(7-13(19)15(12)21)4-5-14(20)17-11-3-1-2-10(8-11)16(22)23/h1-3,6-8,18-19,21H,4-5H2,(H,17,20)(H,22,23)