cyclopenta-1,3-diene; O-(3-hydroxyphenyl) methanethioate; zirconium(2+)

Systemtic Name: cyclopenta-1,3-diene; O-(3-hydroxyphenyl) methanethioate; zirconium(2+) Openeye Name: cyclopenta-1,3-diene; O-(3-hydroxyphenyl) methanethioate; zirconium(2+) CAS Name: cyclopenta-1,3-diene; methanethioic acid O-(3-hydroxyphenyl) ester; zirconium(2+) IUPAC Name: cyclopenta-1,3-diene; O-(3-hydroxyphenyl) methanethioate; zirconium(2+) Traditional Name: cyclopenta-1,3-diene; methanethioic acid O-(3-hydroxyphenyl) ester; zirconium(2+) Formula: C24H22O4S2Zr MolecularWeight: 529.78308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H6O2S.2C5H5.Zr/c2*8-6-2-1-3-7(4-6)9-5-10;2*1-2-4-5-3-1;/h2*1-5,8H;2*1-3H,4H2;/q;;2*-1;+2