cyclopenta-1,3-diene; 3-[(2-methylpropan-2-yl)oxy]phenol; zirconium(2+)

Systemtic Name: cyclopenta-1,3-diene; 3-[(2-methylpropan-2-yl)oxy]phenol; zirconium(2+) Openeye Name: 3-tert-butoxyphenol; cyclopenta-1,3-diene; zirconium(2+) CAS Name: cyclopenta-1,3-diene; 3-[(2-methylpropan-2-yl)oxy]phenol; zirconium(2+) IUPAC Name: cyclopenta-1,3-diene; 3-[(2-methylpropan-2-yl)oxy]phenol; zirconium(2+) Traditional Name: 3-tert-butoxyphenol; cyclopenta-1,3-diene; zirconium(2+) Formula: C30H38O4Zr MolecularWeight: 553.84432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC=CC(=C1)O.CC(C)(C)OC1=CC=CC(=C1)O.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+2]

Isomeric SMILES

CC(C)(C)OC1=CC=CC(=C1)O.CC(C)(C)OC1=CC=CC(=C1)O.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+2]

InChI

InChI=1S/2C10H14O2.2C5H5.Zr/c2*1-10(2,3)12-9-6-4-5-8(11)7-9;2*1-2-4-5-3-1;/h2*4-7,11H,1-3H3;2*1-3H,4H2;/q;;2*-1;+2