heptadecyl 4-cyanobenzoate

Systemtic Name: heptadecyl 4-cyanobenzoate Openeye Name: heptadecyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid heptadecyl ester IUPAC Name: heptadecyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid heptadecyl ester Formula: C25H39NO2 MolecularWeight: 385.58266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C25H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-25(27)24-19-17-23(22-26)18-20-24/h17-20H,2-16,21H2,1H3