2-(3-ethynylphenyl)terephthalic acid

Systemtic Name: 2-(3-ethynylphenyl)terephthalic acid Openeye Name: 2-(3-ethynylphenyl)terephthalic acid CAS Name: 2-(3-ethynylphenyl)terephthalic acid IUPAC Name: 2-(3-ethynylphenyl)terephthalic acid Traditional Name: 2-(3-ethynylphenyl)terephthalic acid Formula: C16H10O4 MolecularWeight: 266.2482

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)C2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C#CC1=CC(=CC=C1)C2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H10O4/c1-2-10-4-3-5-11(8-10)14-9-12(15(17)18)6-7-13(14)16(19)20/h1,3-9H,(H,17,18)(H,19,20)