1-(3-hydroxyphenyl)ethanone; 2-propan-2-ylcyclopenta-1,3-diene; zirconium(2+)

Systemtic Name: 1-(3-hydroxyphenyl)ethanone; 2-propan-2-ylcyclopenta-1,3-diene; zirconium(2+) Openeye Name: 1-(3-hydroxyphenyl)ethanone; 2-isopropylcyclopenta-1,3-diene; zirconium(2+) CAS Name: 1-(3-hydroxyphenyl)ethanone; 2-propan-2-ylcyclopenta-1,3-diene; zirconium(2+) IUPAC Name: 1-(3-hydroxyphenyl)ethanone; 2-propan-2-ylcyclopenta-1,3-diene; zirconium(2+) Traditional Name: 1-(3-hydroxyphenyl)ethanone; 2-isopropylcyclopenta-1,3-diene; zirconium(2+) Formula: C32H38O4Zr MolecularWeight: 577.86572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[C-]CC=C1.CC(C)C1=[C-]CC=C1.CC(=O)C1=CC(=CC=C1)O.CC(=O)C1=CC(=CC=C1)O.[Zr+2]

Isomeric SMILES

CC(C)C1=[C-]CC=C1.CC(C)C1=[C-]CC=C1.CC(=O)C1=CC(=CC=C1)O.CC(=O)C1=CC(=CC=C1)O.[Zr+2]

InChI

InChI=1S/2C8H8O2.2C8H11.Zr/c2*1-6(9)7-3-2-4-8(10)5-7;2*1-7(2)8-5-3-4-6-8;/h2*2-5,10H,1H3;2*3,5,7H,4H2,1-2H3;/q;;2*-1;+2