dodec-9-ynyl 3-methoxybenzoate

Systemtic Name: dodec-9-ynyl 3-methoxybenzoate Openeye Name: dodec-9-ynyl 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid dodec-9-ynyl ester IUPAC Name: dodec-9-ynyl 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid dodec-9-ynyl ester Formula: C20H28O3 MolecularWeight: 316.43452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28O3/c1-3-4-5-6-7-8-9-10-11-12-16-23-20(21)18-14-13-15-19(17-18)22-2/h13-15,17H,3,6-12,16H2,1-2H3