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

Systemtic Name: (E)-4-[[2-[1,1,2,2,3,3,3-heptakis(fluoranyl)propylsulfanyl]phenyl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)anilino]-4-oxo-but-2-enoate CAS Name: (E)-4-[2-(1,1,2,2,3,3,3-heptafluoropropylthio)anilino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)anilino]-4-oxobut-2-enoate Traditional Name: (E)-4-[2-(1,1,2,2,3,3,3-heptafluoropropylthio)anilino]-4-keto-but-2-enoate Formula: C13H7F7NO3S- MolecularWeight: 390.253402

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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=C/C(=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)/p-1/b6-5+