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

Systemtic Name: cyclopenta-1,3-diene; 2-phenyl-3aH-cyclopenta[b]thiophene; propan-2-ylidenezirconium; dichloride Openeye Name: cyclopenta-1,3-diene; isopropylidenezirconium; 2-phenyl-3aH-cyclopenta[b]thiophene; dichloride CAS Name: cyclopenta-1,3-diene; 2-phenyl-3aH-cyclopenta[b]thiophene; propan-2-ylidenezirconium; dichloride IUPAC Name: cyclopenta-1,3-diene; 2-phenyl-3aH-cyclopenta[b]thiophene; propan-2-ylidenezirconium; dichloride Traditional Name: cyclopenta-1,3-diene; isopropylidenezirconium; 2-phenyl-3aH-cyclopenta[b]thiophene; dichloride Formula: C21H21Cl2SZr-3 MolecularWeight: 467.58644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr])C.C1C=CC=[C-]1.C1=CC=C(C=C1)C2=CC3C=CC=C3S2.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr])C.C1C=CC=[C-]1.C1=CC=C(C=C1)C2=CC3C=CC=C3S2.[Cl-].[Cl-]

InChI

InChI=1S/C13H10S.C5H5.C3H6.2ClH.Zr/c1-2-5-10(6-3-1)13-9-11-7-4-8-12(11)14-13;1-2-4-5-3-1;1-3-2;;;/h1-9,11H;1-3H,4H2;1-2H3;2*1H;/q;-1;;;;/p-2