(2-nitrophenyl)methyl 4,5-dimethoxyoctadecanoate

Systemtic Name: (2-nitrophenyl)methyl 4,5-dimethoxyoctadecanoate Openeye Name: (2-nitrophenyl)methyl 4,5-dimethoxyoctadecanoate CAS Name: 4,5-dimethoxyoctadecanoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4,5-dimethoxyoctadecanoate Traditional Name: 4,5-dimethoxystearic acid (2-nitrobenzyl) ester Formula: C27H45NO6 MolecularWeight: 479.6493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45NO6/c1-4-5-6-7-8-9-10-11-12-13-14-19-25(32-2)26(33-3)20-21-27(29)34-22-23-17-15-16-18-24(23)28(30)31/h15-18,25-26H,4-14,19-22H2,1-3H3