dicyclohexyl(1H-inden-1-id-2-yl)phosphane; 4,7-dimethyl-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: dicyclohexyl(1H-inden-1-id-2-yl)phosphane; 4,7-dimethyl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: dicyclohexyl(1H-inden-1-id-2-yl)phosphane; 4,7-dimethyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: dicyclohexyl(1H-inden-1-id-2-yl)phosphine; 4,7-dimethyl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: dicyclohexyl(1H-inden-1-id-2-yl)phosphane; 4,7-dimethyl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: dicyclohexyl(1H-inden-1-id-2-yl)phosphine; 4,7-dimethyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C64H78Cl2P2Zr2-2 MolecularWeight: 1162.605642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2[CH-]C=CC2=C(C=C1)C.CC1=C2[CH-]C=CC2=C(C=C1)C.C1CCC(CC1)P(C2CCCCC2)C3=CC4=CC=CC=C4[CH-]3.C1CCC(CC1)P(C2CCCCC2)C3=CC4=CC=CC=C4[CH-]3.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=C2[CH-]C=CC2=C(C=C1)C.CC1=C2[CH-]C=CC2=C(C=C1)C.C1CCC(CC1)P(C2CCCCC2)C3=CC4=CC=CC=C4[CH-]3.C1CCC(CC1)P(C2CCCCC2)C3=CC4=CC=CC=C4[CH-]3.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C21H28P.2C11H11.2ClH.2Zr/c2*1-3-11-19(12-4-1)22(20-13-5-2-6-14-20)21-15-17-9-7-8-10-18(17)16-21;2*1-8-6-7-9(2)11-5-3-4-10(8)11;;;;/h2*7-10,15-16,19-20H,1-6,11-14H2;2*3-7H,1-2H3;2*1H;;/q4*-1;;;2*+2/p-2