di(nonyl)-phenyl-azanium; tetrakis[2,3,4,5,6,7,8,9,10-nonakis(fluoranyl)pyren-1-yl]alumanuide

Systemtic Name: di(nonyl)-phenyl-azanium; tetrakis[2,3,4,5,6,7,8,9,10-nonakis(fluoranyl)pyren-1-yl]alumanuide Openeye Name: di(nonyl)-phenyl-ammonium; tetrakis(2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl)alumanuide CAS Name: di(nonyl)-phenylammonium; tetrakis(2,3,4,5,6,7,8,9,10-nonafluoro-1-pyrenyl)alumanuide IUPAC Name: di(nonyl)-phenylazanium; tetrakis(2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl)alumanuide Traditional Name: di(nonyl)-phenyl-ammonium; tetrakis(2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl)alumanuide Formula: C88H44AlF36N MolecularWeight: 1826.221713

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC[NH+](CCCCCCCCC)C1=CC=CC=C1.C12=C3C4=C(C(=C1C(=C(C(=C2C(=C(C3=C(C(=C4F)F)[Al-](C5=C6C7=C8C(=C(C(=C7C(=C5F)F)F)F)C(=C(C(=C8C(=C6F)F)F)F)F)(C9=C1C2=C3C(=C(C(=C2C(=C9F)F)F)F)C(=C(C(=C3C(=C1F)F)F)F)F)C1=C2C3=C4C(=C(C(=C3C(=C1F)F)F)F)C(=C(C(=C4C(=C2F)F)F)F)F)F)F)F)F)F)F)F

Isomeric SMILES

CCCCCCCCC[NH+](CCCCCCCCC)C1=CC=CC=C1.C12=C3C4=C(C(=C1C(=C(C(=C2C(=C(C3=C(C(=C4F)F)[Al-](C5=C6C7=C8C(=C(C(=C7C(=C5F)F)F)F)C(=C(C(=C8C(=C6F)F)F)F)F)(C9=C1C2=C3C(=C(C(=C2C(=C9F)F)F)F)C(=C(C(=C3C(=C1F)F)F)F)F)C1=C2C3=C4C(=C(C(=C3C(=C1F)F)F)F)C(=C(C(=C4C(=C2F)F)F)F)F)F)F)F)F)F)F)F

InChI

InChI=1S/C24H43N.4C16F9.Al/c1-3-5-7-9-11-13-18-22-25(24-20-16-15-17-21-24)23-19-14-12-10-8-6-4-2;4*17-3-1-2-4-5-7(11(20)9(2)18)14(23)16(25)15(24)8(5)13(22)12(21)6(4)10(3)19;/h15-17,20-21H,3-14,18-19,22-23H2,1-2H3;;;;;/q;;;;;-1/p+1