2-methyl-3-[4-(tridec-2-ynoxymethyl)phenyl]propanoic acid

Systemtic Name: 2-methyl-3-[4-(tridec-2-ynoxymethyl)phenyl]propanoic acid Openeye Name: 2-methyl-3-[4-(tridec-2-ynoxymethyl)phenyl]propanoic acid CAS Name: 2-methyl-3-[4-(tridec-2-ynoxymethyl)phenyl]propanoic acid IUPAC Name: 2-methyl-3-[4-(tridec-2-ynoxymethyl)phenyl]propanoic acid Traditional Name: 2-methyl-3-[4-(tridec-2-ynoxymethyl)phenyl]propionic acid Formula: C24H36O3 MolecularWeight: 372.54084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-18-27-20-23-16-14-22(15-17-23)19-21(2)24(25)26/h14-17,21H,3-11,18-20H2,1-2H3,(H,25,26)