methyl 2-(5-oxidanylidenehex-1-ynyl)benzoate

Systemtic Name: methyl 2-(5-oxidanylidenehex-1-ynyl)benzoate Openeye Name: methyl 2-(5-oxohex-1-ynyl)benzoate CAS Name: 2-(5-oxohex-1-ynyl)benzoic acid methyl ester IUPAC Name: methyl 2-(5-oxohex-1-ynyl)benzoate Traditional Name: 2-(5-ketohex-1-ynyl)benzoic acid methyl ester Formula: C14H14O3 MolecularWeight: 230.25916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14O3/c1-11(15)7-3-4-8-12-9-5-6-10-13(12)14(16)17-2/h5-6,9-10H,3,7H2,1-2H3