4-(2-phenylethynyl)phthalic acid

Systemtic Name: 4-(2-phenylethynyl)phthalic acid Openeye Name: 4-(2-phenylethynyl)phthalic acid CAS Name: 4-(2-phenylethynyl)phthalic acid IUPAC Name: 4-(2-phenylethynyl)phthalic acid Traditional Name: 4-(2-phenylethynyl)phthalic acid Formula: C16H10O4 MolecularWeight: 266.2482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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