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4-[2-[3,4-bis(fluoranyl)phenyl]ethynyl]phthalic acid

4-[2-[3,4-bis(fluoranyl)phenyl]ethynyl]phthalic acid

Systemtic Name:4-[2-[3,4-bis(fluoranyl)phenyl]ethynyl]phthalic acid
Openeye Name:4-[2-(3,4-difluorophenyl)ethynyl]phthalic acid
CAS Name:4-[2-(3,4-difluorophenyl)ethynyl]phthalic acid
IUPAC Name:4-[2-(3,4-difluorophenyl)ethynyl]phthalic acid
Traditional Name:4-[2-(3,4-difluorophenyl)ethynyl]phthalic acid
Formula: C16H8F2O4
MolecularWeight: 302.229126
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H8F2O4/c17-13-6-4-10(8-14(13)18)2-1-9-3-5-11(15(19)20)12(7-9)16(21)22/h3-8H,(H,19,20)(H,21,22)


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