2,5-dimethyl-1-phenyl-2,4-dihydrocyclopenta[b]phosphol-4-ide; 6-methylsulfanyl-1H-pentalen-1-ide; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: 2,5-dimethyl-1-phenyl-2,4-dihydrocyclopenta[b]phosphol-4-ide; 6-methylsulfanyl-1H-pentalen-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: 2,5-dimethyl-1-phenyl-2,4-dihydrocyclopenta[b]phosphol-4-ide; isopropylidenezirconium(2+); 6-methylsulfanyl-1H-pentalen-1-ide; dichloride CAS Name: 2,5-dimethyl-1-phenyl-2,4-dihydrocyclopenta[b]phosphol-4-ide; 6-(methylthio)-1H-pentalen-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 2,5-dimethyl-1-phenyl-2,4-dihydrocyclopenta[b]phosphol-4-ide; 6-methylsulfanyl-1H-pentalen-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: 2,5-dimethyl-1-phenyl-2,4-dihydrocyclopenta[b]phosphol-4-ide; isopropylidenezirconium(2+); 6-(methylthio)-1H-pentalen-1-ide; dichloride Formula: C54H54Cl2P2S2Zr2-2 MolecularWeight: 1082.438082

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C2[C-]=C(C=C2P1C3=CC=CC=C3)C.CC1C=C2[C-]=C(C=C2P1C3=CC=CC=C3)C.CC(=[Zr+2])C.CC(=[Zr+2])C.CSC1=CC=C2C1=[C-]C=C2.CSC1=CC=C2C1=[C-]C=C2.[Cl-].[Cl-]

Isomeric SMILES

CC1C=C2[C-]=C(C=C2P1C3=CC=CC=C3)C.CC1C=C2[C-]=C(C=C2P1C3=CC=CC=C3)C.CC(=[Zr+2])C.CC(=[Zr+2])C.CSC1=CC=C2C1=[C-]C=C2.CSC1=CC=C2C1=[C-]C=C2.[Cl-].[Cl-]

InChI

InChI=1S/2C15H14P.2C9H7S.2C3H6.2ClH.2Zr/c2*1-11-8-13-10-12(2)16(15(13)9-11)14-6-4-3-5-7-14;2*1-10-9-6-5-7-3-2-4-8(7)9;2*1-3-2;;;;/h2*3-7,9-10,12H,1-2H3;2*2-3,5-6H,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2