sodium; 3,4,5-tris(oxidanyl)-6-(7-oxidanylidenephenoxazin-3-yl)oxy-oxane-2-carboxylic acid

Systemtic Name: sodium; 3,4,5-tris(oxidanyl)-6-(7-oxidanylidenephenoxazin-3-yl)oxy-oxane-2-carboxylic acid Openeye Name: sodium; 3,4,5-trihydroxy-6-(7-oxophenoxazin-3-yl)oxy-tetrahydropyran-2-carboxylic acid CAS Name: sodium; 3,4,5-trihydroxy-6-[(7-oxo-3-phenoxazinyl)oxy]-2-oxanecarboxylic acid IUPAC Name: sodium; 3,4,5-trihydroxy-6-(7-oxophenoxazin-3-yl)oxyoxane-2-carboxylic acid Traditional Name: sodium; 3,4,5-trihydroxy-6-(7-ketophenoxazin-3-yl)oxy-tetrahydropyran-2-carboxylic acid Formula: C18H15NNaO9 MolecularWeight: 412.30277

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1OC3C(C(C(C(O3)C(=O)O)O)O)O)OC4=CC(=O)C=CC4=N2.[Na]

Isomeric SMILES

C1=CC2=C(C=C1OC3C(C(C(C(O3)C(=O)O)O)O)O)OC4=CC(=O)C=CC4=N2.[Na]

InChI

InChI=1S/C18H15NO9.Na/c20-7-1-3-9-11(5-7)27-12-6-8(2-4-10(12)19-9)26-18-15(23)13(21)14(22)16(28-18)17(24)25;/h1-6,13-16,18,21-23H,(H,24,25);