ethyl 3-nitro-4-octadecoxy-benzoate

Systemtic Name: ethyl 3-nitro-4-octadecoxy-benzoate Openeye Name: ethyl 3-nitro-4-octadecoxy-benzoate CAS Name: 3-nitro-4-octadecoxybenzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-4-octadecoxybenzoate Traditional Name: 3-nitro-4-stearyloxy-benzoic acid ethyl ester Formula: C27H45NO5 MolecularWeight: 463.6499

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C27H45NO5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-33-26-21-20-24(27(29)32-4-2)23-25(26)28(30)31/h20-21,23H,3-19,22H2,1-2H3