octadecyl 3,5-dinitrobenzoate

Systemtic Name: octadecyl 3,5-dinitrobenzoate Openeye Name: octadecyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid octadecyl ester IUPAC Name: octadecyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid stearyl ester Formula: C25H40N2O6 MolecularWeight: 464.5949

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-33-25(28)22-19-23(26(29)30)21-24(20-22)27(31)32/h19-21H,2-18H2,1H3