5-(4-nitrophenoxy)-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: 5-(4-nitrophenoxy)-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: 3,4,6-trihydroxy-5-(4-nitrophenoxy)tetrahydropyran-2-carboxylic acid CAS Name: 3,4,6-trihydroxy-5-(4-nitrophenoxy)-2-oxanecarboxylic acid IUPAC Name: 3,4,6-trihydroxy-5-(4-nitrophenoxy)oxane-2-carboxylic acid Traditional Name: 3,4,6-trihydroxy-5-(4-nitrophenoxy)tetrahydropyran-2-carboxylic acid Formula: C12H13NO9 MolecularWeight: 315.23292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OC2C(C(C(OC2O)C(=O)O)O)O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OC2C(C(C(OC2O)C(=O)O)O)O

InChI

InChI=1S/C12H13NO9/c14-7-8(15)10(12(18)22-9(7)11(16)17)21-6-3-1-5(2-4-6)13(19)20/h1-4,7-10,12,14-15,18H,(H,16,17)