methyl (E)-5-(2-methylphenyl)pent-4-en-2-ynoate

Systemtic Name: methyl (E)-5-(2-methylphenyl)pent-4-en-2-ynoate Openeye Name: methyl (E)-5-(o-tolyl)pent-4-en-2-ynoate CAS Name: (E)-5-(2-methylphenyl)pent-4-en-2-ynoic acid methyl ester IUPAC Name: methyl (E)-5-(2-methylphenyl)pent-4-en-2-ynoate Traditional Name: (E)-5-(o-tolyl)pent-4-en-2-ynoic acid methyl ester Formula: C13H12O2 MolecularWeight: 200.23318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=CC=C1/C=C/C#CC(=O)OC

InChI

InChI=1S/C13H12O2/c1-11-7-3-4-8-12(11)9-5-6-10-13(14)15-2/h3-5,7-9H,1-2H3/b9-5+