hex-4-yn-3-yl 4-chloranylbenzoate

Systemtic Name: hex-4-yn-3-yl 4-chloranylbenzoate Openeye Name: 1-ethylbut-2-ynyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid hex-4-yn-3-yl ester IUPAC Name: hex-4-yn-3-yl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 1-ethylbut-2-ynyl ester Formula: C13H13ClO2 MolecularWeight: 236.69412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClO2/c1-3-5-12(4-2)16-13(15)10-6-8-11(14)9-7-10/h6-9,12H,4H2,1-2H3