(2-nitrophenyl)methyl 4,5-dimethoxyhexadecanoate

Systemtic Name: (2-nitrophenyl)methyl 4,5-dimethoxyhexadecanoate Openeye Name: (2-nitrophenyl)methyl 4,5-dimethoxyhexadecanoate CAS Name: 4,5-dimethoxyhexadecanoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4,5-dimethoxyhexadecanoate Traditional Name: 4,5-dimethoxypalmitic acid (2-nitrobenzyl) ester Formula: C25H41NO6 MolecularWeight: 451.59614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C(CCC(=O)OCC1=CC=CC=C1[N+](=O)[O-])OC)OC

Isomeric SMILES

CCCCCCCCCCCC(C(CCC(=O)OCC1=CC=CC=C1[N+](=O)[O-])OC)OC

InChI

InChI=1S/C25H41NO6/c1-4-5-6-7-8-9-10-11-12-17-23(30-2)24(31-3)18-19-25(27)32-20-21-15-13-14-16-22(21)26(28)29/h13-16,23-24H,4-12,17-20H2,1-3H3