ethyl 4-chloranyl-2-hexadecoxy-5-nitro-benzoate

Systemtic Name: ethyl 4-chloranyl-2-hexadecoxy-5-nitro-benzoate Openeye Name: ethyl 4-chloro-2-hexadecoxy-5-nitro-benzoate CAS Name: 4-chloro-2-hexadecoxy-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-chloro-2-hexadecoxy-5-nitrobenzoate Traditional Name: 2-cetyloxy-4-chloro-5-nitro-benzoic acid ethyl ester Formula: C25H40ClNO5 MolecularWeight: 470.0418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1C(=O)OCC)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1C(=O)OCC)[N+](=O)[O-])Cl

InChI

InChI=1S/C25H40ClNO5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32-24-20-22(26)23(27(29)30)19-21(24)25(28)31-4-2/h19-20H,3-18H2,1-2H3