3-[4-(2-tridec-2-ynoxypropan-2-yl)phenyl]propanoic acid

Systemtic Name: 3-[4-(2-tridec-2-ynoxypropan-2-yl)phenyl]propanoic acid Openeye Name: 3-[4-(1-methyl-1-tridec-2-ynoxy-ethyl)phenyl]propanoic acid CAS Name: 3-[4-(2-tridec-2-ynoxypropan-2-yl)phenyl]propanoic acid IUPAC Name: 3-[4-(2-tridec-2-ynoxypropan-2-yl)phenyl]propanoic acid Traditional Name: 3-[4-(1-methyl-1-tridec-2-ynoxy-ethyl)phenyl]propionic acid Formula: C25H38O3 MolecularWeight: 386.56742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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