5,6-dimethyl-1H-inden-1-ide; 4-propan-2-ylphenol; zirconium(2+)

Systemtic Name: 5,6-dimethyl-1H-inden-1-ide; 4-propan-2-ylphenol; zirconium(2+) Openeye Name: 5,6-dimethyl-1H-inden-1-ide; 4-isopropylphenol; zirconium(2+) CAS Name: 5,6-dimethyl-1H-inden-1-ide; 4-propan-2-ylphenol; zirconium(2+) IUPAC Name: 5,6-dimethyl-1H-inden-1-ide; 4-propan-2-ylphenol; zirconium(2+) Traditional Name: 5,6-dimethyl-1H-inden-1-ide; 4-isopropylphenol; zirconium(2+) Formula: C40H46O2Zr MolecularWeight: 650.01604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C[CH-]C2=C1)C.CC1=C(C=C2C=C[CH-]C2=C1)C.CC(C)C1=CC=C(C=C1)O.CC(C)C1=CC=C(C=C1)O.[Zr+2]

Isomeric SMILES

CC1=C(C=C2C=C[CH-]C2=C1)C.CC1=C(C=C2C=C[CH-]C2=C1)C.CC(C)C1=CC=C(C=C1)O.CC(C)C1=CC=C(C=C1)O.[Zr+2]

InChI

InChI=1S/2C11H11.2C9H12O.Zr/c2*1-8-6-10-4-3-5-11(10)7-9(8)2;2*1-7(2)8-3-5-9(10)6-4-8;/h2*3-7H,1-2H3;2*3-7,10H,1-2H3;/q2*-1;;;+2