methyl 2-hex-1-ynylbenzoate

Systemtic Name: methyl 2-hex-1-ynylbenzoate Openeye Name: methyl 2-hex-1-ynylbenzoate CAS Name: 2-hex-1-ynylbenzoic acid methyl ester IUPAC Name: methyl 2-hex-1-ynylbenzoate Traditional Name: 2-hex-1-ynylbenzoic acid methyl ester Formula: C14H16O2 MolecularWeight: 216.27564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC=CC=C1C(=O)OC

Isomeric SMILES

CCCCC#CC1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C14H16O2/c1-3-4-5-6-9-12-10-7-8-11-13(12)14(15)16-2/h7-8,10-11H,3-5H2,1-2H3