methyl 3-methoxy-4-oxidanyl-5-(2-phenylethynyl)benzoate

Systemtic Name: methyl 3-methoxy-4-oxidanyl-5-(2-phenylethynyl)benzoate Openeye Name: methyl 4-hydroxy-3-methoxy-5-(2-phenylethynyl)benzoate CAS Name: 4-hydroxy-3-methoxy-5-(2-phenylethynyl)benzoic acid methyl ester IUPAC Name: methyl 4-hydroxy-3-methoxy-5-(2-phenylethynyl)benzoate Traditional Name: 4-hydroxy-3-methoxy-5-(2-phenylethynyl)benzoic acid methyl ester Formula: C17H14O4 MolecularWeight: 282.29066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OC)C#CC2=CC=CC=C2)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OC)C#CC2=CC=CC=C2)O

InChI

InChI=1S/C17H14O4/c1-20-15-11-14(17(19)21-2)10-13(16(15)18)9-8-12-6-4-3-5-7-12/h3-7,10-11,18H,1-2H3