[4-(4-nitrophenoxy)-2-oxidanyl-butyl] hexanoate

Systemtic Name: [4-(4-nitrophenoxy)-2-oxidanyl-butyl] hexanoate Openeye Name: [2-hydroxy-4-(4-nitrophenoxy)butyl] hexanoate CAS Name: hexanoic acid [2-hydroxy-4-(4-nitrophenoxy)butyl] ester IUPAC Name: [2-hydroxy-4-(4-nitrophenoxy)butyl] hexanoate Traditional Name: hexanoic acid [2-hydroxy-4-(4-nitrophenoxy)butyl] ester Formula: C16H23NO6 MolecularWeight: 325.35692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCC(CCOC1=CC=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

CCCCCC(=O)OCC(CCOC1=CC=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C16H23NO6/c1-2-3-4-5-16(19)23-12-14(18)10-11-22-15-8-6-13(7-9-15)17(20)21/h6-9,14,18H,2-5,10-12H2,1H3