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

Systemtic Name: 6-[(2-butyl-6-nitro-4H-1,3-benzodioxin-7-yl)oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: 6-[(2-butyl-6-nitro-4H-1,3-benzodioxin-7-yl)oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: 6-[(2-butyl-6-nitro-4H-1,3-benzodioxin-7-yl)oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: 6-[(2-butyl-6-nitro-4H-1,3-benzodioxin-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: 6-[(2-butyl-6-nitro-4H-1,3-benzodioxin-7-yl)oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C18H23NO11 MolecularWeight: 429.37532

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO11/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)