di(butan-2-yl)-(1H-inden-1-id-2-yl)phosphane; dicyclohexyl(1H-inden-1-id-2-yl)phosphane; zirconium(2+); dichloride

Systemtic Name: di(butan-2-yl)-(1H-inden-1-id-2-yl)phosphane; dicyclohexyl(1H-inden-1-id-2-yl)phosphane; zirconium(2+); dichloride Openeye Name: dicyclohexyl(1H-inden-1-id-2-yl)phosphane; 1H-inden-1-id-2-yl(disec-butyl)phosphane; zirconium(2+); dichloride CAS Name: di(butan-2-yl)-(1H-inden-1-id-2-yl)phosphine; dicyclohexyl(1H-inden-1-id-2-yl)phosphine; zirconium(2+); dichloride IUPAC Name: di(butan-2-yl)-(1H-inden-1-id-2-yl)phosphane; dicyclohexyl(1H-inden-1-id-2-yl)phosphane; zirconium(2+); dichloride Traditional Name: dicyclohexyl(1H-inden-1-id-2-yl)phosphine; 1H-inden-1-id-2-yl(disec-butyl)phosphine; zirconium(2+); dichloride Formula: C76H104Cl2P4Zr2-2 MolecularWeight: 1394.888004

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)P(C1=CC2=CC=CC=C2[CH-]1)C(C)CC.CCC(C)P(C1=CC2=CC=CC=C2[CH-]1)C(C)CC.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

CCC(C)P(C1=CC2=CC=CC=C2[CH-]1)C(C)CC.CCC(C)P(C1=CC2=CC=CC=C2[CH-]1)C(C)CC.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.2C17H24P.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*1-5-13(3)18(14(4)6-2)17-11-15-9-7-8-10-16(15)12-17;;;;/h2*7-10,15-16,19-20H,1-6,11-14H2;2*7-14H,5-6H2,1-4H3;2*1H;;/q4*-1;;;2*+2/p-2