(Z)-3-ethoxy-3-oxidanyl-1-phthalazin-6-yl-2-(trifluoromethylsulfonyl)prop-2-en-1-one

Systemtic Name: (Z)-3-ethoxy-3-oxidanyl-1-phthalazin-6-yl-2-(trifluoromethylsulfonyl)prop-2-en-1-one Openeye Name: (Z)-3-ethoxy-3-hydroxy-1-phthalazin-6-yl-2-(trifluoromethylsulfonyl)prop-2-en-1-one CAS Name: (Z)-3-ethoxy-3-hydroxy-1-(6-phthalazinyl)-2-(trifluoromethylsulfonyl)-2-propen-1-one IUPAC Name: (Z)-3-ethoxy-3-hydroxy-1-phthalazin-6-yl-2-(trifluoromethylsulfonyl)prop-2-en-1-one Traditional Name: (Z)-3-ethoxy-3-hydroxy-1-phthalazin-6-yl-2-triflyl-prop-2-en-1-one Formula: C14H11F3N2O5S MolecularWeight: 376.30775

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)C1=CC2=CN=NC=C2C=C1)S(=O)(=O)C(F)(F)F)O

Isomeric SMILES

CCO/C(=C(/C(=O)C1=CC2=CN=NC=C2C=C1)\S(=O)(=O)C(F)(F)F)/O

InChI

InChI=1S/C14H11F3N2O5S/c1-2-24-13(21)12(25(22,23)14(15,16)17)11(20)8-3-4-9-6-18-19-7-10(9)5-8/h3-7,21H,2H2,1H3/b13-12-