5,6-dimethyl-1H-inden-1-ide; 3-propan-2-ylphenol; zirconium

Systemtic Name: 5,6-dimethyl-1H-inden-1-ide; 3-propan-2-ylphenol; zirconium Openeye Name: 5,6-dimethyl-1H-inden-1-ide; 3-isopropylphenol; zirconium CAS Name: 5,6-dimethyl-1H-inden-1-ide; 3-propan-2-ylphenol; zirconium IUPAC Name: 5,6-dimethyl-1H-inden-1-ide; 3-propan-2-ylphenol; zirconium Traditional Name: 5,6-dimethyl-1H-inden-1-ide; 3-isopropylphenol; zirconium Formula: C29H35O2Zr- MolecularWeight: 506.811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11.2C9H12O.Zr/c1-8-6-10-4-3-5-11(10)7-9(8)2;2*1-7(2)8-4-3-5-9(10)6-8;/h3-7H,1-2H3;2*3-7,10H,1-2H3;/q-1;;;