benzene; propane; propan-2-ylbenzene; zirconium(4+)

Systemtic Name: benzene; propane; propan-2-ylbenzene; zirconium(4+) Openeye Name: benzene; 1-methylethylbenzene; propane; zirconium(4+) CAS Name: benzene; propane; propan-2-ylbenzene; zirconium(4+) IUPAC Name: benzene; propane; propan-2-ylbenzene; zirconium(4+) Traditional Name: benzene; 1-methylethylbenzene; propane; zirconium(4+) Formula: C36H45Zr- MolecularWeight: 568.9665

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Descriptors Computed from Structure

Canonical SMILES:

C[CH-]C.C[C-](C)C1=CC=CC=C1.C[C-](C)C1=CC=CC=C1.C[C-](C)C1=CC=CC=C1.C1=CC=[C-]C=C1.[Zr+4]

Isomeric SMILES

C[CH-]C.C[C-](C)C1=CC=CC=C1.C[C-](C)C1=CC=CC=C1.C[C-](C)C1=CC=CC=C1.C1=CC=[C-]C=C1.[Zr+4]

InChI

InChI=1S/3C9H11.C6H5.C3H7.Zr/c3*1-8(2)9-6-4-3-5-7-9;1-2-4-6-5-3-1;1-3-2;/h3*3-7H,1-2H3;1-5H;3H,1-2H3;/q5*-1;+4