(4-nitrophenyl) 2-nonyl-1,3-dioxane-5-carboxylate

Systemtic Name: (4-nitrophenyl) 2-nonyl-1,3-dioxane-5-carboxylate Openeye Name: (4-nitrophenyl) 2-nonyl-1,3-dioxane-5-carboxylate CAS Name: 2-nonyl-1,3-dioxane-5-carboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-nonyl-1,3-dioxane-5-carboxylate Traditional Name: 2-nonyl-1,3-dioxane-5-carboxylic acid (4-nitrophenyl) ester Formula: C20H29NO6 MolecularWeight: 379.44736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1OCC(CO1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCC1OCC(CO1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H29NO6/c1-2-3-4-5-6-7-8-9-19-25-14-16(15-26-19)20(22)27-18-12-10-17(11-13-18)21(23)24/h10-13,16,19H,2-9,14-15H2,1H3