dodec-9-ynyl 4-cyanobenzoate

Systemtic Name: dodec-9-ynyl 4-cyanobenzoate Openeye Name: dodec-9-ynyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid dodec-9-ynyl ester IUPAC Name: dodec-9-ynyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid dodec-9-ynyl ester Formula: C20H25NO2 MolecularWeight: 311.418

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCCCCCCCCOC(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

CCC#CCCCCCCCCOC(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C20H25NO2/c1-2-3-4-5-6-7-8-9-10-11-16-23-20(22)19-14-12-18(17-21)13-15-19/h12-15H,2,5-11,16H2,1H3