6-(hydroxymethyl)oxane-2,3,4,5-tetrol; 2-oxidanyl-5-(2-phenylazanylethanoyl)benzoic acid

Systemtic Name: 6-(hydroxymethyl)oxane-2,3,4,5-tetrol; 2-oxidanyl-5-(2-phenylazanylethanoyl)benzoic acid Openeye Name: 5-(2-anilinoacetyl)-2-hydroxy-benzoic acid; 6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol CAS Name: 5-(2-anilino-1-oxoethyl)-2-hydroxybenzoic acid; 6-(hydroxymethyl)oxane-2,3,4,5-tetrol IUPAC Name: 5-(2-anilinoacetyl)-2-hydroxybenzoic acid; 6-(hydroxymethyl)oxane-2,3,4,5-tetrol Traditional Name: 5-(2-anilinoacetyl)-2-hydroxy-benzoic acid; 6-methyloltetrahydropyran-2,3,4,5-tetrol Formula: C21H25NO10 MolecularWeight: 451.4239

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCC(=O)C2=CC(=C(C=C2)O)C(=O)O.C(C1C(C(C(C(O1)O)O)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)NCC(=O)C2=CC(=C(C=C2)O)C(=O)O.C(C1C(C(C(C(O1)O)O)O)O)O

InChI

InChI=1S/C15H13NO4.C6H12O6/c17-13-7-6-10(8-12(13)15(19)20)14(18)9-16-11-4-2-1-3-5-11;7-1-2-3(8)4(9)5(10)6(11)12-2/h1-8,16-17H,9H2,(H,19,20);2-11H,1H2