sodium 6-[(2-butyl-6-nitro-4H-1,3-benzodioxin-7-yl)oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylate

Systemtic Name: sodium 6-[(2-butyl-6-nitro-4H-1,3-benzodioxin-7-yl)oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylate Openeye Name: sodium 6-[(2-butyl-6-nitro-4H-1,3-benzodioxin-7-yl)oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate CAS Name: sodium 6-[(2-butyl-6-nitro-4H-1,3-benzodioxin-7-yl)oxy]-3,4,5-trihydroxy-2-oxanecarboxylate IUPAC Name: sodium 6-[(2-butyl-6-nitro-4H-1,3-benzodioxin-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate Traditional Name: sodium 6-[(2-butyl-6-nitro-4H-1,3-benzodioxin-7-yl)oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate Formula: C18H22NNaO11 MolecularWeight: 451.35715

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1OCC2=CC(=C(C=C2O1)OC3C(C(C(C(O3)C(=O)[O-])O)O)O)[N+](=O)[O-].[Na+]

Isomeric SMILES

CCCCC1OCC2=CC(=C(C=C2O1)OC3C(C(C(C(O3)C(=O)[O-])O)O)O)[N+](=O)[O-].[Na+]

InChI

InChI=1S/C18H23NO11.Na/c1-2-3-4-12-27-7-8-5-9(19(25)26)11(6-10(8)28-12)29-18-15(22)13(20)14(21)16(30-18)17(23)24;/h5-6,12-16,18,20-22H,2-4,7H2,1H3,(H,23,24);/q;+1/p-1