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

Systemtic Name: 6-(4-nitrophenoxy)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid hydrate Openeye Name: 3,4,5-trihydroxy-6-(4-nitrophenoxy)tetrahydropyran-2-carboxylic acid hydrate CAS Name: 3,4,5-trihydroxy-6-(4-nitrophenoxy)-2-oxanecarboxylic acid hydrate IUPAC Name: 3,4,5-trihydroxy-6-(4-nitrophenoxy)oxane-2-carboxylic acid hydrate Traditional Name: 3,4,5-trihydroxy-6-(4-nitrophenoxy)tetrahydropyran-2-carboxylic acid hydrate Formula: C12H15NO10 MolecularWeight: 333.2482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OC2C(C(C(C(O2)C(=O)O)O)O)O.O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OC2C(C(C(C(O2)C(=O)O)O)O)O.O

InChI

InChI=1S/C12H13NO9.H2O/c14-7-8(15)10(11(17)18)22-12(9(7)16)21-6-3-1-5(2-4-6)13(19)20;/h1-4,7-10,12,14-16H,(H,17,18);1H2