3aH-cyclopenta[b]thiophene; 9H-fluoren-9-ide; propan-2-ylidenezirconium; dichloride

Systemtic Name: 3aH-cyclopenta[b]thiophene; 9H-fluoren-9-ide; propan-2-ylidenezirconium; dichloride Openeye Name: 3aH-cyclopenta[b]thiophene; 9H-fluoren-9-ide; isopropylidenezirconium; dichloride CAS Name: 3aH-cyclopenta[b]thiophene; 9H-fluoren-9-ide; propan-2-ylidenezirconium; dichloride IUPAC Name: 3aH-cyclopenta[b]thiophene; 9H-fluoren-9-ide; propan-2-ylidenezirconium; dichloride Traditional Name: 3aH-cyclopenta[b]thiophene; 9H-fluoren-9-ide; isopropylidenezirconium; dichloride Formula: C23H21Cl2SZr-3 MolecularWeight: 491.60784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr])C.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.C1=CC2C=CSC2=C1.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr])C.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.C1=CC2C=CSC2=C1.[Cl-].[Cl-]

InChI

InChI=1S/C13H9.C7H6S.C3H6.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-6-4-5-8-7(6)3-1;1-3-2;;;/h1-9H;1-6H;1-2H3;2*1H;/q-1;;;;;/p-2