2,5-dibutyl-1-phenyl-2,4-dihydrocyclopenta[b]phosphol-4-ide; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: 2,5-dibutyl-1-phenyl-2,4-dihydrocyclopenta[b]phosphol-4-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: 2,5-dibutyl-1-phenyl-2,4-dihydrocyclopenta[b]phosphol-4-ide; isopropylidenezirconium(2+); dichloride CAS Name: 2,5-dibutyl-1-phenyl-2,4-dihydrocyclopenta[b]phosphol-4-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 2,5-dibutyl-1-phenyl-2,4-dihydrocyclopenta[b]phosphol-4-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: 2,5-dibutyl-1-phenyl-2,4-dihydrocyclopenta[b]phosphol-4-ide; isopropylidenezirconium(2+); dichloride Formula: C90H116Cl2P4Zr2-2 MolecularWeight: 1575.133084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C=C2[C-]=C(C=C2P1C3=CC=CC=C3)CCCC.CCCCC1C=C2[C-]=C(C=C2P1C3=CC=CC=C3)CCCC.CCCCC1C=C2[C-]=C(C=C2P1C3=CC=CC=C3)CCCC.CCCCC1C=C2[C-]=C(C=C2P1C3=CC=CC=C3)CCCC.CC(=[Zr+2])C.CC(=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CCCCC1C=C2[C-]=C(C=C2P1C3=CC=CC=C3)CCCC.CCCCC1C=C2[C-]=C(C=C2P1C3=CC=CC=C3)CCCC.CCCCC1C=C2[C-]=C(C=C2P1C3=CC=CC=C3)CCCC.CCCCC1C=C2[C-]=C(C=C2P1C3=CC=CC=C3)CCCC.CC(=[Zr+2])C.CC(=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/4C21H26P.2C3H6.2ClH.2Zr/c4*1-3-5-10-17-14-18-16-20(11-6-4-2)22(21(18)15-17)19-12-8-7-9-13-19;2*1-3-2;;;;/h4*7-9,12-13,15-16,20H,3-6,10-11H2,1-2H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2