hexadecyl 4-chloranyl-3-nitro-benzoate

Systemtic Name: hexadecyl 4-chloranyl-3-nitro-benzoate Openeye Name: hexadecyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid hexadecyl ester IUPAC Name: hexadecyl 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid cetyl ester Formula: C23H36ClNO4 MolecularWeight: 425.98924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36ClNO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-29-23(26)20-16-17-21(24)22(19-20)25(27)28/h16-17,19H,2-15,18H2,1H3