2-methanidylpropan-2-ylbenzene; phenol; zirconium

Systemtic Name: 2-methanidylpropan-2-ylbenzene; phenol; zirconium Openeye Name: (1-methanidyl-1-methyl-ethyl)benzene; phenol; zirconium CAS Name: 2-methanidylpropan-2-ylbenzene; phenol; zirconium IUPAC Name: 2-methanidylpropan-2-ylbenzene; phenol; zirconium Traditional Name: (1-methanidyl-1-methyl-ethyl)benzene; phenol; zirconium Formula: C28H31O3Zr- MolecularWeight: 506.76794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)([CH2-])C1=CC=CC=C1.C1=CC=C(C=C1)O.C1=CC=C(C=C1)O.C1=CC=C(C=C1)O.[Zr]

Isomeric SMILES

CC(C)([CH2-])C1=CC=CC=C1.C1=CC=C(C=C1)O.C1=CC=C(C=C1)O.C1=CC=C(C=C1)O.[Zr]

InChI

InChI=1S/C10H13.3C6H6O.Zr/c1-10(2,3)9-7-5-4-6-8-9;3*7-6-4-2-1-3-5-6;/h4-8H,1H2,2-3H3;3*1-5,7H;/q-1;;;;