3-fluoranyl-4-sulfanyl-phthalic acid

Systemtic Name: 3-fluoranyl-4-sulfanyl-phthalic acid Openeye Name: 3-fluoro-4-sulfanyl-phthalic acid CAS Name: 3-fluoro-4-mercaptophthalic acid IUPAC Name: 3-fluoro-4-sulfanylphthalic acid Traditional Name: 3-fluoro-4-mercapto-phthalic acid Formula: C8H5FO4S MolecularWeight: 216.186303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1C(=O)O)C(=O)O)F)S

Isomeric SMILES

C1=CC(=C(C(=C1C(=O)O)C(=O)O)F)S

InChI

InChI=1S/C8H5FO4S/c9-6-4(14)2-1-3(7(10)11)5(6)8(12)13/h1-2,14H,(H,10,11)(H,12,13)