tetrakis[[2-(6-fluoranyl-3,4-dihydro-2H-chromen-2-yl)-2-oxidanyl-ethyl]amino]alumanuide

Systemtic Name: tetrakis[[2-(6-fluoranyl-3,4-dihydro-2H-chromen-2-yl)-2-oxidanyl-ethyl]amino]alumanuide Openeye Name: tetrakis[[2-(6-fluorochroman-2-yl)-2-hydroxy-ethyl]amino]alumanuide CAS Name: tetrakis[[2-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxyethyl]amino]alumanuide IUPAC Name: tetrakis[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]alumanuide Traditional Name: tetrakis[[2-(6-fluorochroman-2-yl)-2-hydroxy-ethyl]amino]alumanuide Formula: C44H52AlF4N4O8- MolecularWeight: 867.880831

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)F)OC1C(CN[Al-](NCC(C3CCC4=C(O3)C=CC(=C4)F)O)(NCC(C5CCC6=C(O5)C=CC(=C6)F)O)NCC(C7CCC8=C(O7)C=CC(=C8)F)O)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)F)OC1C(CN[Al-](NCC(C3CCC4=C(O3)C=CC(=C4)F)O)(NCC(C5CCC6=C(O5)C=CC(=C6)F)O)NCC(C7CCC8=C(O7)C=CC(=C8)F)O)O

InChI

InChI=1S/4C11H13FNO2.Al/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