4-(2-naphthalen-1-ylethynyl)phthalic acid

Systemtic Name: 4-(2-naphthalen-1-ylethynyl)phthalic acid Openeye Name: 4-[2-(1-naphthyl)ethynyl]phthalic acid CAS Name: 4-[2-(1-naphthalenyl)ethynyl]phthalic acid IUPAC Name: 4-(2-naphthalen-1-ylethynyl)phthalic acid Traditional Name: 4-[2-(1-naphthyl)ethynyl]phthalic acid Formula: C20H12O4 MolecularWeight: 316.30688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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