[5-(2-phenylethynyl)thiophen-2-yl]methyl 4-chloranylbenzoate

Systemtic Name: [5-(2-phenylethynyl)thiophen-2-yl]methyl 4-chloranylbenzoate Openeye Name: [5-(2-phenylethynyl)-2-thienyl]methyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [5-(2-phenylethynyl)-2-thiophenyl]methyl ester IUPAC Name: [5-(2-phenylethynyl)thiophen-2-yl]methyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [5-(2-phenylethynyl)-2-thienyl]methyl ester Formula: C20H13ClO2S MolecularWeight: 352.83402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(S2)COC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(S2)COC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H13ClO2S/c21-17-9-7-16(8-10-17)20(22)23-14-19-13-12-18(24-19)11-6-15-4-2-1-3-5-15/h1-5,7-10,12-13H,14H2