3-[[3,4-bis(oxidanyl)phenyl]amino]-5-butanoyloxy-2-oxidanylidene-oxolane-3-carboxylic acid

Systemtic Name: 3-[[3,4-bis(oxidanyl)phenyl]amino]-5-butanoyloxy-2-oxidanylidene-oxolane-3-carboxylic acid Openeye Name: 5-butanoyloxy-3-(3,4-dihydroxyanilino)-2-oxo-tetrahydrofuran-3-carboxylic acid CAS Name: 3-(3,4-dihydroxyanilino)-2-oxo-5-(1-oxobutoxy)-3-oxolanecarboxylic acid IUPAC Name: 5-butanoyloxy-3-(3,4-dihydroxyanilino)-2-oxooxolane-3-carboxylic acid Traditional Name: 5-butyryloxy-3-(3,4-dihydroxyanilino)-2-keto-tetrahydrofuran-3-carboxylic acid Formula: C15H17NO8 MolecularWeight: 339.29738

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1CC(C(=O)O1)(C(=O)O)NC2=CC(=C(C=C2)O)O

Isomeric SMILES

CCCC(=O)OC1CC(C(=O)O1)(C(=O)O)NC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C15H17NO8/c1-2-3-11(19)23-12-7-15(13(20)21,14(22)24-12)16-8-4-5-9(17)10(18)6-8/h4-6,12,16-18H,2-3,7H2,1H3,(H,20,21)