(4-butan-2-ylphenyl) but-2-ynoate

Systemtic Name: (4-butan-2-ylphenyl) but-2-ynoate Openeye Name: (4-sec-butylphenyl) but-2-ynoate CAS Name: 2-butynoic acid (4-butan-2-ylphenyl) ester IUPAC Name: (4-butan-2-ylphenyl) but-2-ynoate Traditional Name: but-2-ynoic acid (4-sec-butylphenyl) ester Formula: C14H16O2 MolecularWeight: 216.27564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OC(=O)C#CC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OC(=O)C#CC

InChI

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