tridecyl 4-cyanobenzoate

Systemtic Name: tridecyl 4-cyanobenzoate Openeye Name: tridecyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid tridecyl ester IUPAC Name: tridecyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid tridecyl ester Formula: C21H31NO2 MolecularWeight: 329.47634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-24-21(23)20-15-13-19(18-22)14-16-20/h13-16H,2-12,17H2,1H3