5-(3-ethynylphenyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(3-ethynylphenyl)benzene-1,3-dicarboxylic acid Openeye Name: 5-(3-ethynylphenyl)benzene-1,3-dicarboxylic acid CAS Name: 5-(3-ethynylphenyl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(3-ethynylphenyl)benzene-1,3-dicarboxylic acid Traditional Name: 5-(3-ethynylphenyl)isophthalic acid Formula: C16H10O4 MolecularWeight: 266.2482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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