cyclopenta-1,3-diene; 4-(2-oxidanylphenoxy)cyclohexa-2,4-diene-1-thione; zirconium(2+)

Systemtic Name: cyclopenta-1,3-diene; 4-(2-oxidanylphenoxy)cyclohexa-2,4-diene-1-thione; zirconium(2+) Openeye Name: cyclopenta-1,3-diene; 4-(2-hydroxyphenoxy)cyclohexa-2,4-diene-1-thione; zirconium(2+) CAS Name: cyclopenta-1,3-diene; 4-(2-hydroxyphenoxy)-1-cyclohexa-2,4-dienethione; zirconium(2+) IUPAC Name: cyclopenta-1,3-diene; 4-(2-hydroxyphenoxy)cyclohexa-2,4-diene-1-thione; zirconium(2+) Traditional Name: cyclopenta-1,3-diene; 4-(2-hydroxyphenoxy)cyclohexa-2,4-diene-1-thione; zirconium(2+) Formula: C34H30O4S2Zr MolecularWeight: 657.9536

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=C(C=CC1=S)OC2=CC=CC=C2O.C1C=C(C=CC1=S)OC2=CC=CC=C2O.[Zr+2]

Isomeric SMILES

C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=C(C=CC1=S)OC2=CC=CC=C2O.C1C=C(C=CC1=S)OC2=CC=CC=C2O.[Zr+2]

InChI

InChI=1S/2C12H10O2S.2C5H5.Zr/c2*13-11-3-1-2-4-12(11)14-9-5-7-10(15)8-6-9;2*1-2-4-5-3-1;/h2*1-7,13H,8H2;2*1-3H,4H2;/q;;2*-1;+2