aluminum lithium [2-(6-fluoranyl-3,4-dihydro-2H-chromen-2-yl)-2-oxidanyl-ethyl]azanide

Systemtic Name: aluminum lithium [2-(6-fluoranyl-3,4-dihydro-2H-chromen-2-yl)-2-oxidanyl-ethyl]azanide Openeye Name: aluminum lithium [2-(6-fluorochroman-2-yl)-2-hydroxy-ethyl]azanide CAS Name: aluminum lithium [2-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxyethyl]azanide IUPAC Name: aluminum lithium [2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]azanide Traditional Name: aluminum lithium [2-(6-fluorochroman-2-yl)-2-hydroxy-ethyl]azanide Formula: C44H52AlF4LiN4O8 MolecularWeight: 874.821831

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].C1CC2=C(C=CC(=C2)F)OC1C(C[NH-])O.C1CC2=C(C=CC(=C2)F)OC1C(C[NH-])O.C1CC2=C(C=CC(=C2)F)OC1C(C[NH-])O.C1CC2=C(C=CC(=C2)F)OC1C(C[NH-])O.[Al+3]

Isomeric SMILES

[Li+].C1CC2=C(C=CC(=C2)F)OC1C(C[NH-])O.C1CC2=C(C=CC(=C2)F)OC1C(C[NH-])O.C1CC2=C(C=CC(=C2)F)OC1C(C[NH-])O.C1CC2=C(C=CC(=C2)F)OC1C(C[NH-])O.[Al+3]

InChI

InChI=1S/4C11H13FNO2.Al.Li/c4*12-8-2-4-10-7(5-8)1-3-11(15-10)9(14)6-13;;/h4*2,4-5,9,11,13-14H,1,3,6H2;;/q4*-1;+3;+1