4-(2-phenylethynyl)-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 4-(2-phenylethynyl)-1,3-benzodioxole-5-carboxylic acid Openeye Name: 4-(2-phenylethynyl)-1,3-benzodioxole-5-carboxylic acid CAS Name: 4-(2-phenylethynyl)-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 4-(2-phenylethynyl)-1,3-benzodioxole-5-carboxylic acid Traditional Name: 4-(2-phenylethynyl)-piperonylic acid Formula: C16H10O4 MolecularWeight: 266.2482

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=C(C=C2)C(=O)O)C#CC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C(=C(C=C2)C(=O)O)C#CC3=CC=CC=C3

InChI

InChI=1S/C16H10O4/c17-16(18)13-8-9-14-15(20-10-19-14)12(13)7-6-11-4-2-1-3-5-11/h1-5,8-9H,10H2,(H,17,18)