methyl 6,8-bis[(4-nitrophenyl)methoxy]octanoate

Systemtic Name: methyl 6,8-bis[(4-nitrophenyl)methoxy]octanoate Openeye Name: methyl 6,8-bis[(4-nitrophenyl)methoxy]octanoate CAS Name: 6,8-bis[(4-nitrophenyl)methoxy]octanoic acid methyl ester IUPAC Name: methyl 6,8-bis[(4-nitrophenyl)methoxy]octanoate Traditional Name: 6,8-bis[(4-nitrobenzyl)oxy]caprylic acid methyl ester Formula: C23H28N2O8 MolecularWeight: 460.47702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC(CCOCC1=CC=C(C=C1)[N+](=O)[O-])OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCCC(CCOCC1=CC=C(C=C1)[N+](=O)[O-])OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H28N2O8/c1-31-23(26)5-3-2-4-22(33-17-19-8-12-21(13-9-19)25(29)30)14-15-32-16-18-6-10-20(11-7-18)24(27)28/h6-13,22H,2-5,14-17H2,1H3