tris[2,6-bis[3,4-bis(fluoranyl)phenyl]phenoxy]alumane

Systemtic Name: tris[2,6-bis[3,4-bis(fluoranyl)phenyl]phenoxy]alumane Openeye Name: tris[2,6-bis(3,4-difluorophenyl)phenoxy]alumane CAS Name: tris[2,6-bis(3,4-difluorophenyl)phenoxy]alumane IUPAC Name: tris[2,6-bis(3,4-difluorophenyl)phenoxy]alumane Traditional Name: tris[2,6-bis(3,4-difluorophenyl)phenoxy]alumane Formula: C54H27AlF12O3 MolecularWeight: 978.752756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C2=CC(=C(C=C2)F)F)O[Al](OC3=C(C=CC=C3C4=CC(=C(C=C4)F)F)C5=CC(=C(C=C5)F)F)OC6=C(C=CC=C6C7=CC(=C(C=C7)F)F)C8=CC(=C(C=C8)F)F)C9=CC(=C(C=C9)F)F

Isomeric SMILES

C1=CC(=C(C(=C1)C2=CC(=C(C=C2)F)F)O[Al](OC3=C(C=CC=C3C4=CC(=C(C=C4)F)F)C5=CC(=C(C=C5)F)F)OC6=C(C=CC=C6C7=CC(=C(C=C7)F)F)C8=CC(=C(C=C8)F)F)C9=CC(=C(C=C9)F)F

InChI

InChI=1S/3C18H10F4O.Al/c3*19-14-6-4-10(8-16(14)21)12-2-1-3-13(18(12)23)11-5-7-15(20)17(22)9-11;/h3*1-9,23H;/q;;;+3/p-3