dodec-9-ynyl 4-ethylbenzoate

Systemtic Name: dodec-9-ynyl 4-ethylbenzoate Openeye Name: dodec-9-ynyl 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid dodec-9-ynyl ester IUPAC Name: dodec-9-ynyl 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid dodec-9-ynyl ester Formula: C21H30O2 MolecularWeight: 314.4617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30O2/c1-3-5-6-7-8-9-10-11-12-13-18-23-21(22)20-16-14-19(4-2)15-17-20/h14-17H,3-4,7-13,18H2,1-2H3