octadecyl 4-nitrobenzoate

Systemtic Name: octadecyl 4-nitrobenzoate Openeye Name: octadecyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid octadecyl ester IUPAC Name: octadecyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid stearyl ester Formula: C25H41NO4 MolecularWeight: 419.59734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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