dimethyl 4-[2-(4-fluorophenyl)ethynyl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 4-[2-(4-fluorophenyl)ethynyl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 4-[2-(4-fluorophenyl)ethynyl]benzene-1,3-dicarboxylate CAS Name: 4-[2-(4-fluorophenyl)ethynyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[2-(4-fluorophenyl)ethynyl]benzene-1,3-dicarboxylate Traditional Name: 4-[2-(4-fluorophenyl)ethynyl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H13FO4 MolecularWeight: 312.291823

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C#CC2=CC=C(C=C2)F)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C#CC2=CC=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C18H13FO4/c1-22-17(20)14-8-7-13(16(11-14)18(21)23-2)6-3-12-4-9-15(19)10-5-12/h4-5,7-11H,1-2H3