[2,3,4,5,6-pentakis(fluoranyl)phenyl] 4-isothiocyanatobenzoate

Systemtic Name: [2,3,4,5,6-pentakis(fluoranyl)phenyl] 4-isothiocyanatobenzoate Openeye Name: (2,3,4,5,6-pentafluorophenyl) 4-isothiocyanatobenzoate CAS Name: 4-isothiocyanatobenzoic acid (2,3,4,5,6-pentafluorophenyl) ester IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 4-isothiocyanatobenzoate Traditional Name: 4-isothiocyanatobenzoic acid (2,3,4,5,6-pentafluorophenyl) ester Formula: C14H4F5NO2S MolecularWeight: 345.244076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F)N=C=S

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F)N=C=S

InChI

InChI=1S/C14H4F5NO2S/c15-8-9(16)11(18)13(12(19)10(8)17)22-14(21)6-1-3-7(4-2-6)20-5-23/h1-4H