4,6-bis(2-phenylethynyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 4,6-bis(2-phenylethynyl)benzene-1,3-dicarboxylic acid Openeye Name: 4,6-bis(2-phenylethynyl)benzene-1,3-dicarboxylic acid CAS Name: 4,6-bis(2-phenylethynyl)benzene-1,3-dicarboxylic acid IUPAC Name: 4,6-bis(2-phenylethynyl)benzene-1,3-dicarboxylic acid Traditional Name: 4,6-bis(2-phenylethynyl)isophthalic acid Formula: C24H14O4 MolecularWeight: 366.36556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC(=C(C=C2C(=O)O)C(=O)O)C#CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC(=C(C=C2C(=O)O)C(=O)O)C#CC3=CC=CC=C3

InChI

InChI=1S/C24H14O4/c25-23(26)21-16-22(24(27)28)20(14-12-18-9-5-2-6-10-18)15-19(21)13-11-17-7-3-1-4-8-17/h1-10,15-16H,(H,25,26)(H,27,28)