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2,4-bis[[3,4,5-tris(oxidanyl)phenyl]carbonylamino]butanoic acid

2,4-bis[[3,4,5-tris(oxidanyl)phenyl]carbonylamino]butanoic acid

Systemtic Name:2,4-bis[[3,4,5-tris(oxidanyl)phenyl]carbonylamino]butanoic acid
Openeye Name:2,4-bis[(3,4,5-trihydroxybenzoyl)amino]butanoic acid
CAS Name:2,4-bis[[oxo-(3,4,5-trihydroxyphenyl)methyl]amino]butanoic acid
IUPAC Name:2,4-bis[(3,4,5-trihydroxybenzoyl)amino]butanoic acid
Traditional Name:2,4-bis(galloylamino)butyric acid
Formula: C18H18N2O10
MolecularWeight: 422.34292
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1O)O)O)C(=O)NCCC(C(=O)O)NC(=O)C2=CC(=C(C(=C2)O)O)O


Isomeric SMILES

C1=C(C=C(C(=C1O)O)O)C(=O)NCCC(C(=O)O)NC(=O)C2=CC(=C(C(=C2)O)O)O


InChI

InChI=1S/C18H18N2O10/c21-10-3-7(4-11(22)14(10)25)16(27)19-2-1-9(18(29)30)20-17(28)8-5-12(23)15(26)13(24)6-8/h3-6,9,21-26H,1-2H2,(H,19,27)(H,20,28)(H,29,30)


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