4-[2-(4-methylphenyl)ethynyl]phthalic acid

Systemtic Name: 4-[2-(4-methylphenyl)ethynyl]phthalic acid Openeye Name: 4-[2-(p-tolyl)ethynyl]phthalic acid CAS Name: 4-[2-(4-methylphenyl)ethynyl]phthalic acid IUPAC Name: 4-[2-(4-methylphenyl)ethynyl]phthalic acid Traditional Name: 4-[2-(p-tolyl)ethynyl]phthalic acid Formula: C17H12O4 MolecularWeight: 280.27478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC2=CC(=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C#CC2=CC(=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C17H12O4/c1-11-2-4-12(5-3-11)6-7-13-8-9-14(16(18)19)15(10-13)17(20)21/h2-5,8-10H,1H3,(H,18,19)(H,20,21)