bis[bis[3,5-bis(trifluoromethyl)phenyl]methoxy]-methyl-alumane

Systemtic Name: bis[bis[3,5-bis(trifluoromethyl)phenyl]methoxy]-methyl-alumane Openeye Name: bis[bis[3,5-bis(trifluoromethyl)phenyl]methoxy]-methyl-alumane CAS Name: bis[bis[3,5-bis(trifluoromethyl)phenyl]methoxy]-methylalumane IUPAC Name: bis[bis[3,5-bis(trifluoromethyl)phenyl]methoxy]-methylalumane Traditional Name: bis[bis[3,5-bis(trifluoromethyl)phenyl]methoxy]-methyl-alumane Formula: C35H17AlF24O2 MolecularWeight: 952.451495

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Descriptors Computed from Structure

Canonical SMILES:

C[Al](OC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)OC(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C[Al](OC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)OC(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/2C17H7F12O.CH3.Al/c2*18-14(19,20)9-1-7(2-10(5-9)15(21,22)23)13(30)8-3-11(16(24,25)26)6-12(4-8)17(27,28)29;;/h2*1-6,13H;1H3;/q2*-1;;+2