dodec-9-ynyl 3-phenylpropanoate

Systemtic Name: dodec-9-ynyl 3-phenylpropanoate Openeye Name: dodec-9-ynyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid dodec-9-ynyl ester IUPAC Name: dodec-9-ynyl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid dodec-9-ynyl ester Formula: C21H30O2 MolecularWeight: 314.4617

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCCCCCCCCOC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CCC#CCCCCCCCCOC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C21H30O2/c1-2-3-4-5-6-7-8-9-10-14-19-23-21(22)18-17-20-15-12-11-13-16-20/h11-13,15-16H,2,5-10,14,17-19H2,1H3