ethyl 4-hex-1-ynylbenzoate

Systemtic Name: ethyl 4-hex-1-ynylbenzoate Openeye Name: ethyl 4-hex-1-ynylbenzoate CAS Name: 4-hex-1-ynylbenzoic acid ethyl ester IUPAC Name: ethyl 4-hex-1-ynylbenzoate Traditional Name: 4-hex-1-ynylbenzoic acid ethyl ester Formula: C15H18O2 MolecularWeight: 230.30222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O2/c1-3-5-6-7-8-13-9-11-14(12-10-13)15(16)17-4-2/h9-12H,3-6H2,1-2H3