4-[[4-[[4-(dioxidanylmethyl)-3-oxidanyl-phenyl]amino]-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[4-[[4-(dioxidanylmethyl)-3-oxidanyl-phenyl]amino]-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 4-[[4-[4-(hydroperoxymethyl)-3-hydroxy-anilino]-4-oxo-butanoyl]amino]-2-hydroxy-benzoic acid CAS Name: 4-[[4-[4-(hydroperoxymethyl)-3-hydroxyanilino]-1,4-dioxobutyl]amino]-2-hydroxybenzoic acid IUPAC Name: 4-[[4-[4-(hydroperoxymethyl)-3-hydroxyanilino]-4-oxobutanoyl]amino]-2-hydroxybenzoic acid Traditional Name: 4-[[4-[4-(hydroperoxymethyl)-3-hydroxy-anilino]-4-keto-butanoyl]amino]-2-hydroxy-benzoic acid Formula: C18H18N2O8 MolecularWeight: 390.34412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCC(=O)NC2=CC(=C(C=C2)C(=O)O)O)O)COO

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCC(=O)NC2=CC(=C(C=C2)C(=O)O)O)O)COO

InChI

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