hexadecan-4-yl 4-cyanobenzoate

Systemtic Name: hexadecan-4-yl 4-cyanobenzoate Openeye Name: 1-propyltridecyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid hexadecan-4-yl ester IUPAC Name: hexadecan-4-yl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid 1-propyltridecyl ester Formula: C24H37NO2 MolecularWeight: 371.55608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCC)OC(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

CCCCCCCCCCCCC(CCC)OC(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C24H37NO2/c1-3-5-6-7-8-9-10-11-12-13-15-23(14-4-2)27-24(26)22-18-16-21(20-25)17-19-22/h16-19,23H,3-15H2,1-2H3