cyclopenta-1,3-diene; 2-propyl-2,3,3a,7a-tetrahydro-1H-inden-3-ide; zirconium(4+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 2-propyl-2,3,3a,7a-tetrahydro-1H-inden-3-ide; zirconium(4+); dichloride Openeye Name: cyclopenta-1,3-diene; 2-propyl-2,3,3a,7a-tetrahydro-1H-inden-3-ide; zirconium(4+); dichloride CAS Name: cyclopenta-1,3-diene; 2-propyl-2,3,3a,7a-tetrahydro-1H-inden-3-ide; zirconium(4+); dichloride IUPAC Name: cyclopenta-1,3-diene; 2-propyl-2,3,3a,7a-tetrahydro-1H-inden-3-ide; zirconium(4+); dichloride Traditional Name: cyclopenta-1,3-diene; 2-propyl-2,3,3a,7a-tetrahydro-1H-inden-3-ide; zirconium(4+); dichloride Formula: C17H22Cl2Zr MolecularWeight: 388.48658

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC2C=CC=CC2[CH-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCC1CC2C=CC=CC2[CH-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C12H17.C5H5.2ClH.Zr/c1-2-5-10-8-11-6-3-4-7-12(11)9-10;1-2-4-5-3-1;;;/h3-4,6-8,10-12H,2,5,9H2,1H3;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2