ethyl 3-[4-(1,1-dideuteriotridec-2-ynoxymethyl)phenyl]propanoate

Systemtic Name: ethyl 3-[4-(1,1-dideuteriotridec-2-ynoxymethyl)phenyl]propanoate Openeye Name: ethyl 3-[4-(1,1-dideuteriotridec-2-ynoxymethyl)phenyl]propanoate CAS Name: 3-[4-(1,1-dideuteriotridec-2-ynoxymethyl)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-(1,1-dideuteriotridec-2-ynoxymethyl)phenyl]propanoate Traditional Name: 3-[4-(1,1-dideuteriotridec-2-ynoxymethyl)phenyl]propionic acid ethyl ester Formula: C25H38O3 MolecularWeight: 388.579744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CCOCC1=CC=C(C=C1)CCC(=O)OCC

Isomeric SMILES

[2H]C([2H])(C#CCCCCCCCCCC)OCC1=CC=C(C=C1)CCC(=O)OCC

InChI

InChI=1S/C25H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-21-27-22-24-17-15-23(16-18-24)19-20-25(26)28-4-2/h15-18H,3-12,19-22H2,1-2H3/i21D2