hexadecan-4-yl 4-nitrobenzoate

Systemtic Name: hexadecan-4-yl 4-nitrobenzoate Openeye Name: 1-propyltridecyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid hexadecan-4-yl ester IUPAC Name: hexadecan-4-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 1-propyltridecyl ester Formula: C23H37NO4 MolecularWeight: 391.54418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCC)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC(CCC)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C23H37NO4/c1-3-5-6-7-8-9-10-11-12-13-15-22(14-4-2)28-23(25)20-16-18-21(19-17-20)24(26)27/h16-19,22H,3-15H2,1-2H3