3-[4-(2-methyltetradec-3-yn-2-yloxymethyl)phenyl]propanoic acid

Systemtic Name: 3-[4-(2-methyltetradec-3-yn-2-yloxymethyl)phenyl]propanoic acid Openeye Name: 3-[4-(1,1-dimethyltridec-2-ynoxymethyl)phenyl]propanoic acid CAS Name: 3-[4-(2-methyltetradec-3-yn-2-yloxymethyl)phenyl]propanoic acid IUPAC Name: 3-[4-(2-methyltetradec-3-yn-2-yloxymethyl)phenyl]propanoic acid Traditional Name: 3-[4-(1,1-dimethyltridec-2-ynoxymethyl)phenyl]propionic acid Formula: C25H38O3 MolecularWeight: 386.56742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC(C)(C)OCC1=CC=C(C=C1)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCC#CC(C)(C)OCC1=CC=C(C=C1)CCC(=O)O

InChI

InChI=1S/C25H38O3/c1-4-5-6-7-8-9-10-11-12-13-20-25(2,3)28-21-23-16-14-22(15-17-23)18-19-24(26)27/h14-17H,4-12,18-19,21H2,1-3H3,(H,26,27)