3-[4-(1,1-dideuteriotridec-2-ynoxymethyl)phenyl]propanoic acid

Systemtic Name: 3-[4-(1,1-dideuteriotridec-2-ynoxymethyl)phenyl]propanoic acid Openeye Name: 3-[4-(1,1-dideuteriotridec-2-ynoxymethyl)phenyl]propanoic acid CAS Name: 3-[4-(1,1-dideuteriotridec-2-ynoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[4-(1,1-dideuteriotridec-2-ynoxymethyl)phenyl]propanoic acid Traditional Name: 3-[4-(1,1-dideuteriotridec-2-ynoxymethyl)phenyl]propionic acid Formula: C23H34O3 MolecularWeight: 360.526584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-19-26-20-22-15-13-21(14-16-22)17-18-23(24)25/h13-16H,2-10,17-20H2,1H3,(H,24,25)/i19D2