5-(4-nitrophenoxy)-2,3,4-tris(oxidanyl)-6-oxidanylidene-hexanoic acid

Systemtic Name: 5-(4-nitrophenoxy)-2,3,4-tris(oxidanyl)-6-oxidanylidene-hexanoic acid Openeye Name: 2,3,4-trihydroxy-5-(4-nitrophenoxy)-6-oxo-hexanoic acid CAS Name: 2,3,4-trihydroxy-5-(4-nitrophenoxy)-6-oxohexanoic acid IUPAC Name: 2,3,4-trihydroxy-5-(4-nitrophenoxy)-6-oxohexanoic acid Traditional Name: 2,3,4-trihydroxy-6-keto-5-(4-nitrophenoxy)hexanoic acid Formula: C12H13NO9 MolecularWeight: 315.23292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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