5-(2-phenylethynyl)-2-propoxy-benzoic acid

Systemtic Name: 5-(2-phenylethynyl)-2-propoxy-benzoic acid Openeye Name: 5-(2-phenylethynyl)-2-propoxy-benzoic acid CAS Name: 5-(2-phenylethynyl)-2-propoxybenzoic acid IUPAC Name: 5-(2-phenylethynyl)-2-propoxybenzoic acid Traditional Name: 5-(2-phenylethynyl)-2-propoxy-benzoic acid Formula: C18H16O3 MolecularWeight: 280.31784

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C#CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C#CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H16O3/c1-2-12-21-17-11-10-15(13-16(17)18(19)20)9-8-14-6-4-3-5-7-14/h3-7,10-11,13H,2,12H2,1H3,(H,19,20)