2-[4,4-bis(fluoranyl)but-3-enylsulfanyl]-1,3-benzoxazole-4-carboxylic acid

Systemtic Name: 2-[4,4-bis(fluoranyl)but-3-enylsulfanyl]-1,3-benzoxazole-4-carboxylic acid Openeye Name: 2-(4,4-difluorobut-3-enylsulfanyl)-1,3-benzoxazole-4-carboxylic acid CAS Name: 2-(4,4-difluorobut-3-enylthio)-1,3-benzoxazole-4-carboxylic acid IUPAC Name: 2-(4,4-difluorobut-3-enylsulfanyl)-1,3-benzoxazole-4-carboxylic acid Traditional Name: 2-(4,4-difluorobut-3-enylthio)-1,3-benzoxazole-4-carboxylic acid Formula: C12H9F2NO3S MolecularWeight: 285.266566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)OC(=N2)SCCC=C(F)F)C(=O)O

Isomeric SMILES

C1=CC(=C2C(=C1)OC(=N2)SCCC=C(F)F)C(=O)O

InChI

InChI=1S/C12H9F2NO3S/c13-9(14)5-2-6-19-12-15-10-7(11(16)17)3-1-4-8(10)18-12/h1,3-5H,2,6H2,(H,16,17)