diphenyl-(2-propan-2-ylinden-2-id-5-yl)phosphane; 2H-inden-2-id-5-yl(diphenyl)phosphane; zirconium(4+); dichloride

Systemtic Name: diphenyl-(2-propan-2-ylinden-2-id-5-yl)phosphane; 2H-inden-2-id-5-yl(diphenyl)phosphane; zirconium(4+); dichloride Openeye Name: 2H-inden-2-id-5-yl(diphenyl)phosphane; (2-isopropylinden-2-id-5-yl)-diphenyl-phosphane; zirconium(4+); dichloride CAS Name: diphenyl-(2-propan-2-yl-5-inden-2-idyl)phosphine; 2H-inden-2-id-5-yl(diphenyl)phosphine; zirconium(4+); dichloride IUPAC Name: diphenyl-(2-propan-2-ylinden-2-id-5-yl)phosphane; 2H-inden-2-id-5-yl(diphenyl)phosphane; zirconium(4+); dichloride Traditional Name: 2H-inden-2-id-5-yl(diphenyl)phosphine; (2-isopropylinden-2-id-5-yl)-diphenyl-phosphine; zirconium(4+); dichloride Formula: C45H38Cl2P2Zr MolecularWeight: 802.860742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[C-]1C=C2C=CC(=CC2=C1)P(C3=CC=CC=C3)C4=CC=CC=C4.[CH-]1C=C2C=CC(=CC2=C1)P(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC(C)[C-]1C=C2C=CC(=CC2=C1)P(C3=CC=CC=C3)C4=CC=CC=C4.[CH-]1C=C2C=CC(=CC2=C1)P(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C24H22P.C21H16P.2ClH.Zr/c1-18(2)20-15-19-13-14-24(17-21(19)16-20)25(22-9-5-3-6-10-22)23-11-7-4-8-12-23;1-3-10-19(11-4-1)22(20-12-5-2-6-13-20)21-15-14-17-8-7-9-18(17)16-21;;;/h3-18H,1-2H3;1-16H;2*1H;/q2*-1;;;+4/p-2