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3-tert-butylphenol; 4,5,6,7-tetrahydro-1H-inden-1-ide; zirconium(2+)

3-tert-butylphenol; 4,5,6,7-tetrahydro-1H-inden-1-ide; zirconium(2+)

Systemtic Name:3-tert-butylphenol; 4,5,6,7-tetrahydro-1H-inden-1-ide; zirconium(2+)
Openeye Name:3-tert-butylphenol; 4,5,6,7-tetrahydro-1H-inden-1-ide; zirconium(2+)
CAS Name:3-tert-butylphenol; 4,5,6,7-tetrahydro-1H-inden-1-ide; zirconium(2+)
IUPAC Name:3-tert-butylphenol; 4,5,6,7-tetrahydro-1H-inden-1-ide; zirconium(2+)
Traditional Name:3-tert-butylphenol; 4,5,6,7-tetrahydro-1H-inden-1-ide; zirconium(2+)
Formula: C38H50O2Zr
MolecularWeight: 630.0264
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=C1)O.CC(C)(C)C1=CC(=CC=C1)O.C1CCC2=C(C1)[CH-]C=C2.C1CCC2=C(C1)[CH-]C=C2.[Zr+2]


Isomeric SMILES

CC(C)(C)C1=CC(=CC=C1)O.CC(C)(C)C1=CC(=CC=C1)O.C1CCC2=C(C1)[CH-]C=C2.C1CCC2=C(C1)[CH-]C=C2.[Zr+2]


InChI

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


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