4-[[2-[1,1,2,2,3,3,3-heptakis(fluoranyl)propylsulfanyl]phenyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 4-[[2-[1,1,2,2,3,3,3-heptakis(fluoranyl)propylsulfanyl]phenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-[2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)anilino]-4-oxo-but-2-enoic acid CAS Name: 4-[2-(1,1,2,2,3,3,3-heptafluoropropylthio)anilino]-4-oxo-2-butenoic acid IUPAC Name: 4-[2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)anilino]-4-oxobut-2-enoic acid Traditional Name: 4-[2-(1,1,2,2,3,3,3-heptafluoropropylthio)anilino]-4-keto-but-2-enoic acid Formula: C13H8F7NO3S MolecularWeight: 391.261342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8F7NO3S/c14-11(15,12(16,17)18)13(19,20)25-8-4-2-1-3-7(8)21-9(22)5-6-10(23)24/h1-6H,(H,21,22)(H,23,24)