methyl 4-hex-1-ynylbenzoate

Systemtic Name: methyl 4-hex-1-ynylbenzoate Openeye Name: methyl 4-hex-1-ynylbenzoate CAS Name: 4-hex-1-ynylbenzoic acid methyl ester IUPAC Name: methyl 4-hex-1-ynylbenzoate Traditional Name: 4-hex-1-ynylbenzoic acid methyl ester Formula: C14H16O2 MolecularWeight: 216.27564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCCCC#CC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C14H16O2/c1-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16-2/h8-11H,3-5H2,1-2H3