7-(2-phenylethynyl)naphthalene-1,6-dicarboxylic acid

Systemtic Name: 7-(2-phenylethynyl)naphthalene-1,6-dicarboxylic acid Openeye Name: 7-(2-phenylethynyl)naphthalene-1,6-dicarboxylic acid CAS Name: 7-(2-phenylethynyl)naphthalene-1,6-dicarboxylic acid IUPAC Name: 7-(2-phenylethynyl)naphthalene-1,6-dicarboxylic acid Traditional Name: 7-(2-phenylethynyl)naphthalene-1,6-dicarboxylic acid Formula: C20H12O4 MolecularWeight: 316.30688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC3=C(C=CC=C3C(=O)O)C=C2C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC3=C(C=CC=C3C(=O)O)C=C2C(=O)O

InChI

InChI=1S/C20H12O4/c21-19(22)16-8-4-7-14-12-18(20(23)24)15(11-17(14)16)10-9-13-5-2-1-3-6-13/h1-8,11-12H,(H,21,22)(H,23,24)