benzene; hexakis-phenylaluminum(3-); tributylazanium

Systemtic Name: benzene; hexakis-phenylaluminum(3-); tributylazanium Openeye Name: benzene; hexakis-phenylaluminum(3-); tributylammonium CAS Name: benzene; hexakis-phenylaluminum(3-); tributylammonium IUPAC Name: benzene; hexakis-phenylaluminum(3-); tributylazanium Traditional Name: benzene; hexakis-phenylaluminum(3-); tributylammonium Formula: C60H70AlN-2 MolecularWeight: 832.186038

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCCC.C1=CC=CC=C1.C1=CC=CC=C1.C1=CC=C(C=C1)[Al-3](C2=CC=CC=C2)(C3=CC=CC=C3)(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCCC[NH+](CCCC)CCCC.C1=CC=CC=C1.C1=CC=CC=C1.C1=CC=C(C=C1)[Al-3](C2=CC=CC=C2)(C3=CC=CC=C3)(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C12H27N.2C6H6.6C6H5.Al/c1-4-7-10-13(11-8-5-2)12-9-6-3;8*1-2-4-6-5-3-1;/h4-12H2,1-3H3;2*1-6H;6*1-5H;/q;;;;;;;;;-3/p+1