cerium(3+); 1,2,3,4,5-pentamethylcyclopentane; 4-phenylbuta-1,2,3-trienylbenzene

Systemtic Name: cerium(3+); 1,2,3,4,5-pentamethylcyclopentane; 4-phenylbuta-1,2,3-trienylbenzene Openeye Name: cerium(3+); 1,2,3,4,5-pentamethylcyclopentane; 4-phenylbuta-1,2,3-trienylbenzene CAS Name: cerium(3+); 1,2,3,4,5-pentamethylcyclopentane; 4-phenylbuta-1,2,3-trienylbenzene IUPAC Name: cerium(3+); 1,2,3,4,5-pentamethylcyclopentane; 4-phenylbuta-1,2,3-trienylbenzene Traditional Name: cerium(3+); 1,2,3,4,5-pentamethylcyclopentane; 4-phenylbuta-1,2,3-trienylbenzene Formula: C56H70Ce2+4 MolecularWeight: 1023.387

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Descriptors Computed from Structure

Canonical SMILES:

C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.C1=CC=C(C=C1)[C-]=C=C=[C-]C2=CC=CC=C2.[Ce+3].[Ce+3]

Isomeric SMILES

C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.C1=CC=C(C=C1)[C-]=C=C=[C-]C2=CC=CC=C2.[Ce+3].[Ce+3]

InChI

InChI=1S/C16H10.4C10H15.2Ce/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;4*1-6-7(2)9(4)10(5)8(6)3;;/h1-6,9-12H;4*1-5H3;;/q-2;;;;;2*+3