methyl 4-(3-methylbut-3-en-1-ynyl)benzoate

Systemtic Name: methyl 4-(3-methylbut-3-en-1-ynyl)benzoate Openeye Name: methyl 4-(3-methylbut-3-en-1-ynyl)benzoate CAS Name: 4-(3-methylbut-3-en-1-ynyl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-methylbut-3-en-1-ynyl)benzoate Traditional Name: 4-(3-methylbut-3-en-1-ynyl)benzoic acid methyl ester Formula: C13H12O2 MolecularWeight: 200.23318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12O2/c1-10(2)4-5-11-6-8-12(9-7-11)13(14)15-3/h6-9H,1H2,2-3H3