6-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[2-(difluoromethylsulfanyl)anilino]-6-oxo-hexanoic acid CAS Name: 6-[2-(difluoromethylthio)anilino]-6-oxohexanoic acid IUPAC Name: 6-[2-(difluoromethylsulfanyl)anilino]-6-oxohexanoic acid Traditional Name: 6-[2-(difluoromethylthio)anilino]-6-keto-hexanoic acid Formula: C13H15F2NO3S MolecularWeight: 303.324906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCC(=O)O)SC(F)F

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCC(=O)O)SC(F)F

InChI

InChI=1S/C13H15F2NO3S/c14-13(15)20-10-6-2-1-5-9(10)16-11(17)7-3-4-8-12(18)19/h1-2,5-6,13H,3-4,7-8H2,(H,16,17)(H,18,19)