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

Systemtic Name: 2,4-bis[[2,3-bis(oxidanyl)phenyl]carbonylamino]butanoic acid Openeye Name: 2,4-bis[(2,3-dihydroxybenzoyl)amino]butanoic acid CAS Name: 2,4-bis[[(2,3-dihydroxyphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 2,4-bis[(2,3-dihydroxybenzoyl)amino]butanoic acid Traditional Name: 2,4-bis[(2,3-dihydroxybenzoyl)amino]butyric acid Formula: C18H18N2O8 MolecularWeight: 390.34412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O8/c21-12-5-1-3-9(14(12)23)16(25)19-8-7-11(18(27)28)20-17(26)10-4-2-6-13(22)15(10)24/h1-6,11,21-24H,7-8H2,(H,19,25)(H,20,26)(H,27,28)