2,4,5-tris(fluoranyl)-6-[[3-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]-phenyl-phosphinoselenoyl]phenyl]carbamoyl]-3-sulfanyl-benzoic acid

Systemtic Name: 2,4,5-tris(fluoranyl)-6-[[3-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]-phenyl-phosphinoselenoyl]phenyl]carbamoyl]-3-sulfanyl-benzoic acid Openeye Name: 2,4,5-trifluoro-6-[[3-[(2,3,4,5,6-pentafluorophenyl)-phenyl-phosphinoselenoyl]phenyl]carbamoyl]-3-sulfanyl-benzoic acid CAS Name: 2,4,5-trifluoro-3-mercapto-6-[oxo-[3-[(2,3,4,5,6-pentafluorophenyl)-phenylphosphinoselenoyl]anilino]methyl]benzoic acid IUPAC Name: 2,4,5-trifluoro-6-[[3-[(2,3,4,5,6-pentafluorophenyl)-phenylphosphinoselenoyl]phenyl]carbamoyl]-3-sulfanylbenzoic acid Traditional Name: 2,4,5-trifluoro-3-mercapto-6-[[3-[(2,3,4,5,6-pentafluorophenyl)-phenyl-selenophosphoryl]phenyl]carbamoyl]benzoic acid Formula: C26H12F8NO3PSSe MolecularWeight: 680.364367

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(=[Se])(C2=CC=CC(=C2)NC(=O)C3=C(C(=C(C(=C3F)F)S)F)C(=O)O)C4=C(C(=C(C(=C4F)F)F)F)F

Isomeric SMILES

C1=CC=C(C=C1)P(=[Se])(C2=CC=CC(=C2)NC(=O)C3=C(C(=C(C(=C3F)F)S)F)C(=O)O)C4=C(C(=C(C(=C4F)F)F)F)F

InChI

InChI=1S/C26H12F8NO3PSSe/c27-15-13(14(26(37)38)16(28)24(40)22(15)34)25(36)35-10-5-4-8-12(9-10)39(41,11-6-2-1-3-7-11)23-20(32)18(30)17(29)19(31)21(23)33/h1-9,40H,(H,35,36)(H,37,38)