4-[(5S)-6,6,6-tris(fluoranyl)-5-oxidanyl-hexoxy]-2H-phthalazin-1-one

Systemtic Name: 4-[(5S)-6,6,6-tris(fluoranyl)-5-oxidanyl-hexoxy]-2H-phthalazin-1-one Openeye Name: 4-[(5S)-6,6,6-trifluoro-5-hydroxy-hexoxy]-2H-phthalazin-1-one CAS Name: 4-[(5S)-6,6,6-trifluoro-5-hydroxyhexoxy]-2H-phthalazin-1-one IUPAC Name: 4-[(5S)-6,6,6-trifluoro-5-hydroxyhexoxy]-2H-phthalazin-1-one Traditional Name: 4-[(5S)-6,6,6-trifluoro-5-hydroxy-hexoxy]-2H-phthalazin-1-one Formula: C14H15F3N2O3 MolecularWeight: 316.27571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN=C2OCCCCC(C(F)(F)F)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN=C2OCCCC[C@@H](C(F)(F)F)O

InChI

InChI=1S/C14H15F3N2O3/c15-14(16,17)11(20)7-3-4-8-22-13-10-6-2-1-5-9(10)12(21)18-19-13/h1-2,5-6,11,20H,3-4,7-8H2,(H,18,21)/t11-/m0/s1