2-(2-methyl-1H-inden-1-id-4-yl)cyclohexa-2,4-diene-1-thione; zirconium(3+); dichloride

Systemtic Name: 2-(2-methyl-1H-inden-1-id-4-yl)cyclohexa-2,4-diene-1-thione; zirconium(3+); dichloride Openeye Name: 2-(2-methyl-1H-inden-1-id-4-yl)cyclohexa-2,4-diene-1-thione; zirconium(3+); dichloride CAS Name: 2-(2-methyl-1H-inden-1-id-4-yl)-1-cyclohexa-2,4-dienethione; zirconium(3+); dichloride IUPAC Name: 2-(2-methyl-1H-inden-1-id-4-yl)cyclohexa-2,4-diene-1-thione; zirconium(3+); dichloride Traditional Name: 2-(2-methyl-1H-inden-1-id-4-yl)cyclohexa-2,4-diene-1-thione; zirconium(3+); dichloride Formula: C16H13Cl2SZr MolecularWeight: 399.46942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CCC3=S.[Cl-].[Cl-].[Zr+3]

Isomeric SMILES

CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CCC3=S.[Cl-].[Cl-].[Zr+3]

InChI

InChI=1S/C16H13S.2ClH.Zr/c1-11-9-12-5-4-7-13(15(12)10-11)14-6-2-3-8-16(14)17;;;/h2-7,9-10H,8H2,1H3;2*1H;/q-1;;;+3/p-2