methyl 3-(2-tridec-1-ynylphenyl)propanoate

Systemtic Name: methyl 3-(2-tridec-1-ynylphenyl)propanoate Openeye Name: methyl 3-(2-tridec-1-ynylphenyl)propanoate CAS Name: 3-(2-tridec-1-ynylphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-(2-tridec-1-ynylphenyl)propanoate Traditional Name: 3-(2-tridec-1-ynylphenyl)propionic acid methyl ester Formula: C23H34O2 MolecularWeight: 342.51486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC#CC1=CC=CC=C1CCC(=O)OC

Isomeric SMILES

CCCCCCCCCCCC#CC1=CC=CC=C1CCC(=O)OC

InChI

InChI=1S/C23H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-21-17-14-15-18-22(21)19-20-23(24)25-2/h14-15,17-18H,3-12,19-20H2,1-2H3