5-(4-cyano-2-fluoranyl-phenyl)sulfanylthiophene-2-sulfonic acid

Systemtic Name: 5-(4-cyano-2-fluoranyl-phenyl)sulfanylthiophene-2-sulfonic acid Openeye Name: 5-(4-cyano-2-fluoro-phenyl)sulfanylthiophene-2-sulfonic acid CAS Name: 5-[(4-cyano-2-fluorophenyl)thio]-2-thiophenesulfonic acid IUPAC Name: 5-(4-cyano-2-fluorophenyl)sulfanylthiophene-2-sulfonic acid Traditional Name: 5-[(4-cyano-2-fluoro-phenyl)thio]thiophene-2-sulfonic acid Formula: C11H6FNO3S3 MolecularWeight: 315.363643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)F)SC2=CC=C(S2)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C#N)F)SC2=CC=C(S2)S(=O)(=O)O

InChI

InChI=1S/C11H6FNO3S3/c12-8-5-7(6-13)1-2-9(8)17-10-3-4-11(18-10)19(14,15)16/h1-5H,(H,14,15,16)