3-[3-(tridec-2-ynoxymethyl)phenyl]butanoic acid

Systemtic Name: 3-[3-(tridec-2-ynoxymethyl)phenyl]butanoic acid Openeye Name: 3-[3-(tridec-2-ynoxymethyl)phenyl]butanoic acid CAS Name: 3-[3-(tridec-2-ynoxymethyl)phenyl]butanoic acid IUPAC Name: 3-[3-(tridec-2-ynoxymethyl)phenyl]butanoic acid Traditional Name: 3-[3-(tridec-2-ynoxymethyl)phenyl]butyric acid Formula: C24H36O3 MolecularWeight: 372.54084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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