4-tert-butylsulfanylphenol; cyclopenta-1,3-diene; zirconium(2+)

Systemtic Name: 4-tert-butylsulfanylphenol; cyclopenta-1,3-diene; zirconium(2+) Openeye Name: 4-tert-butylsulfanylphenol; cyclopenta-1,3-diene; zirconium(2+) CAS Name: 4-(tert-butylthio)phenol; cyclopenta-1,3-diene; zirconium(2+) IUPAC Name: 4-tert-butylsulfanylphenol; cyclopenta-1,3-diene; zirconium(2+) Traditional Name: 4-(tert-butylthio)phenol; cyclopenta-1,3-diene; zirconium(2+) Formula: C30H38O2S2Zr MolecularWeight: 585.97552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=C(C=C1)O.CC(C)(C)SC1=CC=C(C=C1)O.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+2]

Isomeric SMILES

CC(C)(C)SC1=CC=C(C=C1)O.CC(C)(C)SC1=CC=C(C=C1)O.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+2]

InChI

InChI=1S/2C10H14OS.2C5H5.Zr/c2*1-10(2,3)12-9-6-4-8(11)5-7-9;2*1-2-4-5-3-1;/h2*4-7,11H,1-3H3;2*1-3H,4H2;/q;;2*-1;+2