dimethyl 5-ethynylbenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-ethynylbenzene-1,3-dicarboxylate Openeye Name: dimethyl 5-ethynylbenzene-1,3-dicarboxylate CAS Name: 5-ethynylbenzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-ethynylbenzene-1,3-dicarboxylate Traditional Name: 5-ethynylbenzene-1,3-dicarboxylic acid dimethyl ester Formula: C12H10O4 MolecularWeight: 218.2054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10O4/c1-4-8-5-9(11(13)15-2)7-10(6-8)12(14)16-3/h1,5-7H,2-3H3