cyclopenta-1,3-diene; (4-hydroxyphenyl) thiohypochlorite; zirconium(2+)

Systemtic Name: cyclopenta-1,3-diene; (4-hydroxyphenyl) thiohypochlorite; zirconium(2+) Openeye Name: cyclopenta-1,3-diene; (4-hydroxyphenyl) thiohypochlorite; zirconium(2+) CAS Name: cyclopenta-1,3-diene; thiohypochlorous acid (4-hydroxyphenyl) ester; zirconium(2+) IUPAC Name: cyclopenta-1,3-diene; (4-hydroxyphenyl) thiohypochlorite; zirconium(2+) Traditional Name: cyclopenta-1,3-diene; thiohypochlorous acid (4-hydroxyphenyl) ester; zirconium(2+) Formula: C22H20Cl2O2S2Zr MolecularWeight: 542.653

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC(=CC=C1O)SCl.C1=CC(=CC=C1O)SCl.[Zr+2]

Isomeric SMILES

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC(=CC=C1O)SCl.C1=CC(=CC=C1O)SCl.[Zr+2]

InChI

InChI=1S/2C6H5ClOS.2C5H5.Zr/c2*7-9-6-3-1-5(8)2-4-6;2*1-2-4-5-3-1;/h2*1-4,8H;2*1-3H,4H2;/q;;2*-1;+2