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3-[3-[2,4,6-tris(oxidanyl)phenyl]propanoylamino]benzoic acid

3-[3-[2,4,6-tris(oxidanyl)phenyl]propanoylamino]benzoic acid

Systemtic Name:3-[3-[2,4,6-tris(oxidanyl)phenyl]propanoylamino]benzoic acid
Openeye Name:3-[3-(2,4,6-trihydroxyphenyl)propanoylamino]benzoic acid
CAS Name:3-[[1-oxo-3-(2,4,6-trihydroxyphenyl)propyl]amino]benzoic acid
IUPAC Name:3-[3-(2,4,6-trihydroxyphenyl)propanoylamino]benzoic acid
Traditional Name:3-[3-(2,4,6-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=C(C=C(C=C2O)O)O)C(=O)O


Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCC2=C(C=C(C=C2O)O)O)C(=O)O


InChI

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


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