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

Systemtic Name: 2-butylcyclopenta-1,3-diene; 2-methyl-3aH-cyclopenta[b]thiophene; propan-2-ylidenezirconium; dichloride Openeye Name: 2-butylcyclopenta-1,3-diene; isopropylidenezirconium; 2-methyl-3aH-cyclopenta[b]thiophene; dichloride CAS Name: 2-butylcyclopenta-1,3-diene; 2-methyl-3aH-cyclopenta[b]thiophene; propan-2-ylidenezirconium; dichloride IUPAC Name: 2-butylcyclopenta-1,3-diene; 2-methyl-3aH-cyclopenta[b]thiophene; propan-2-ylidenezirconium; dichloride Traditional Name: 2-butylcyclopenta-1,3-diene; isopropylidenezirconium; 2-methyl-3aH-cyclopenta[b]thiophene; dichloride Formula: C20H27Cl2SZr-3 MolecularWeight: 461.62338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC[C-]=C1.CC1=CC2C=CC=C2S1.CC(=[Zr])C.[Cl-].[Cl-]

Isomeric SMILES

CCCCC1=CC[C-]=C1.CC1=CC2C=CC=C2S1.CC(=[Zr])C.[Cl-].[Cl-]

InChI

InChI=1S/C9H13.C8H8S.C3H6.2ClH.Zr/c1-2-3-6-9-7-4-5-8-9;1-6-5-7-3-2-4-8(7)9-6;1-3-2;;;/h7-8H,2-4,6H2,1H3;2-5,7H,1H3;1-2H3;2*1H;/q-1;;;;;/p-2