cyclopenta-1,3-diene; 2-ethyl-3aH-cyclopenta[b]thiophene; propan-2-ylidenezirconium; dichloride

Systemtic Name: cyclopenta-1,3-diene; 2-ethyl-3aH-cyclopenta[b]thiophene; propan-2-ylidenezirconium; dichloride Openeye Name: cyclopenta-1,3-diene; 2-ethyl-3aH-cyclopenta[b]thiophene; isopropylidenezirconium; dichloride CAS Name: cyclopenta-1,3-diene; 2-ethyl-3aH-cyclopenta[b]thiophene; propan-2-ylidenezirconium; dichloride IUPAC Name: cyclopenta-1,3-diene; 2-ethyl-3aH-cyclopenta[b]thiophene; propan-2-ylidenezirconium; dichloride Traditional Name: cyclopenta-1,3-diene; 2-ethyl-3aH-cyclopenta[b]thiophene; isopropylidenezirconium; dichloride Formula: C17H21Cl2SZr-3 MolecularWeight: 419.54364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2C=CC=C2S1.CC(=[Zr])C.C1C=CC=[C-]1.[Cl-].[Cl-]

Isomeric SMILES

CCC1=CC2C=CC=C2S1.CC(=[Zr])C.C1C=CC=[C-]1.[Cl-].[Cl-]

InChI

InChI=1S/C9H10S.C5H5.C3H6.2ClH.Zr/c1-2-8-6-7-4-3-5-9(7)10-8;1-2-4-5-3-1;1-3-2;;;/h3-7H,2H2,1H3;1-3H,4H2;1-2H3;2*1H;/q;-1;;;;/p-2