(4-nitrophenyl)methyl octadecanoate

Systemtic Name: (4-nitrophenyl)methyl octadecanoate Openeye Name: (4-nitrophenyl)methyl octadecanoate CAS Name: octadecanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl octadecanoate Traditional Name: stearic acid (4-nitrobenzyl) ester Formula: C25H41NO4 MolecularWeight: 419.59734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C25H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(27)30-22-23-18-20-24(21-19-23)26(28)29/h18-21H,2-17,22H2,1H3