sodium 6-[4-(hexan-2-yloxymethyl)-2-nitro-phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylate

Systemtic Name: sodium 6-[4-(hexan-2-yloxymethyl)-2-nitro-phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylate Openeye Name: sodium 3,4,5-trihydroxy-6-[4-(1-methylpentoxymethyl)-2-nitro-phenoxy]tetrahydropyran-2-carboxylate CAS Name: sodium 6-[4-(hexan-2-yloxymethyl)-2-nitrophenoxy]-3,4,5-trihydroxy-2-oxanecarboxylate IUPAC Name: sodium 6-[4-(hexan-2-yloxymethyl)-2-nitrophenoxy]-3,4,5-trihydroxyoxane-2-carboxylate Traditional Name: sodium 3,4,5-trihydroxy-6-[4-(1-methylpentoxymethyl)-2-nitro-phenoxy]tetrahydropyran-2-carboxylate Formula: C19H26NNaO10 MolecularWeight: 451.40021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)OCC1=CC(=C(C=C1)OC2C(C(C(C(O2)C(=O)[O-])O)O)O)[N+](=O)[O-].[Na+]

Isomeric SMILES

CCCCC(C)OCC1=CC(=C(C=C1)OC2C(C(C(C(O2)C(=O)[O-])O)O)O)[N+](=O)[O-].[Na+]

InChI

InChI=1S/C19H27NO10.Na/c1-3-4-5-10(2)28-9-11-6-7-13(12(8-11)20(26)27)29-19-16(23)14(21)15(22)17(30-19)18(24)25;/h6-8,10,14-17,19,21-23H,3-5,9H2,1-2H3,(H,24,25);/q;+1/p-1