methyl 3-ethynylbenzoate

Systemtic Name: methyl 3-ethynylbenzoate Openeye Name: methyl 3-ethynylbenzoate CAS Name: 3-ethynylbenzoic acid methyl ester IUPAC Name: methyl 3-ethynylbenzoate Traditional Name: 3-ethynylbenzoic acid methyl ester Formula: C10H8O2 MolecularWeight: 160.16932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#C

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#C

InChI

InChI=1S/C10H8O2/c1-3-8-5-4-6-9(7-8)10(11)12-2/h1,4-7H,2H3