dimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)silane; 5-methyl-2-propan-2-yl-phenolate; zirconium(4+); chloride

Systemtic Name: dimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)silane; 5-methyl-2-propan-2-yl-phenolate; zirconium(4+); chloride Openeye Name: dimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)silane; 2-isopropyl-5-methyl-phenolate; zirconium(4+); chloride CAS Name: dimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)silane; 5-methyl-2-propan-2-ylphenolate; zirconium(4+); chloride IUPAC Name: dimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)silane; 5-methyl-2-propan-2-ylphenolate; zirconium(4+); chloride Traditional Name: dimethyl-bis(2-methyl-3H-benz[e]inden-3-id-1-yl)silane; 2-isopropyl-5-methyl-phenolate; zirconium(4+); chloride Formula: C40H39ClOSiZr MolecularWeight: 690.49956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C([CH-]1)C=CC3=CC=CC=C32)[Si](C)(C)C4=C([CH-]C5=C4C6=CC=CC=C6C=C5)C.CC1=CC(=C(C=C1)C(C)C)[O-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=C(C2=C([CH-]1)C=CC3=CC=CC=C32)[Si](C)(C)C4=C([CH-]C5=C4C6=CC=CC=C6C=C5)C.CC1=CC(=C(C=C1)C(C)C)[O-].[Cl-].[Zr+4]

InChI

InChI=1S/C30H26Si.C10H14O.ClH.Zr/c1-19-17-23-15-13-21-9-5-7-11-25(21)27(23)29(19)31(3,4)30-20(2)18-24-16-14-22-10-6-8-12-26(22)28(24)30;1-7(2)9-5-4-8(3)6-10(9)11;;/h5-18H,1-4H3;4-7,11H,1-3H3;1H;/q-2;;;+4/p-2