methyl 2-[(E)-hex-3-en-1-ynyl]benzoate

Systemtic Name: methyl 2-[(E)-hex-3-en-1-ynyl]benzoate Openeye Name: methyl 2-[(E)-hex-3-en-1-ynyl]benzoate CAS Name: 2-[(E)-hex-3-en-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(E)-hex-3-en-1-ynyl]benzoate Traditional Name: 2-[(E)-hex-3-en-1-ynyl]benzoic acid methyl ester Formula: C14H14O2 MolecularWeight: 214.25976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC/C=C/C#CC1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C14H14O2/c1-3-4-5-6-9-12-10-7-8-11-13(12)14(15)16-2/h4-5,7-8,10-11H,3H2,1-2H3/b5-4+