4-tert-butylphenol; 4,5,6,7-tetrahydro-1H-inden-1-ide; zirconium

Systemtic Name: 4-tert-butylphenol; 4,5,6,7-tetrahydro-1H-inden-1-ide; zirconium Openeye Name: 4-tert-butylphenol; 4,5,6,7-tetrahydro-1H-inden-1-ide; zirconium CAS Name: 4-tert-butylphenol; 4,5,6,7-tetrahydro-1H-inden-1-ide; zirconium IUPAC Name: 4-tert-butylphenol; 4,5,6,7-tetrahydro-1H-inden-1-ide; zirconium Traditional Name: 4-tert-butylphenol; 4,5,6,7-tetrahydro-1H-inden-1-ide; zirconium Formula: C29H39O2Zr- MolecularWeight: 510.84276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)O.CC(C)(C)C1=CC=C(C=C1)O.C1CCC2=C(C1)[CH-]C=C2.[Zr]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)O.CC(C)(C)C1=CC=C(C=C1)O.C1CCC2=C(C1)[CH-]C=C2.[Zr]

InChI

InChI=1S/2C10H14O.C9H11.Zr/c2*1-10(2,3)8-4-6-9(11)7-5-8;1-2-5-9-7-3-6-8(9)4-1;/h2*4-7,11H,1-3H3;3,6-7H,1-2,4-5H2;/q;;-1;