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

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

Systemtic Name:4-[2-(4-cyanophenyl)ethynyl]phthalic acid
Openeye Name:4-[2-(4-cyanophenyl)ethynyl]phthalic acid
CAS Name:4-[2-(4-cyanophenyl)ethynyl]phthalic acid
IUPAC Name:4-[2-(4-cyanophenyl)ethynyl]phthalic acid
Traditional Name:4-[2-(4-cyanophenyl)ethynyl]phthalic acid
Formula: C17H9NO4
MolecularWeight: 291.25766
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC2=CC(=C(C=C2)C(=O)O)C(=O)O)C#N


Isomeric SMILES

C1=CC(=CC=C1C#CC2=CC(=C(C=C2)C(=O)O)C(=O)O)C#N


InChI

InChI=1S/C17H9NO4/c18-10-13-5-2-11(3-6-13)1-4-12-7-8-14(16(19)20)15(9-12)17(21)22/h2-3,5-9H,(H,19,20)(H,21,22)


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