ethyl 4-but-1-ynylbenzoate

Systemtic Name: ethyl 4-but-1-ynylbenzoate Openeye Name: ethyl 4-but-1-ynylbenzoate CAS Name: 4-but-1-ynylbenzoic acid ethyl ester IUPAC Name: ethyl 4-but-1-ynylbenzoate Traditional Name: 4-but-1-ynylbenzoic acid ethyl ester Formula: C13H14O2 MolecularWeight: 202.24906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O2/c1-3-5-6-11-7-9-12(10-8-11)13(14)15-4-2/h7-10H,3-4H2,1-2H3