gadolinium; [1,1,1-tris(fluoranyl)-4-oxidaniumylidene-4-thiophen-2-yl-butan-2-ylidene]oxidanium

Systemtic Name: gadolinium; [1,1,1-tris(fluoranyl)-4-oxidaniumylidene-4-thiophen-2-yl-butan-2-ylidene]oxidanium Openeye Name: gadolinium; [3-oxoniumylidene-3-(2-thienyl)-1-(trifluoromethyl)propylidene]oxonium CAS Name: gadolinium; (1,1,1-trifluoro-4-oxoniumylidene-4-thiophen-2-ylbutan-2-ylidene)oxonium IUPAC Name: gadolinium; (1,1,1-trifluoro-4-oxoniumylidene-4-thiophen-2-ylbutan-2-ylidene)oxidanium Traditional Name: gadolinium; [3-oxoniumylidene-3-(2-thienyl)-1-(trifluoromethyl)propylidene]oxonium Formula: C24H21F9GdO6S3+6 MolecularWeight: 829.850569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=[OH+])CC(=[OH+])C(F)(F)F.C1=CSC(=C1)C(=[OH+])CC(=[OH+])C(F)(F)F.C1=CSC(=C1)C(=[OH+])CC(=[OH+])C(F)(F)F.[Gd]

Isomeric SMILES

C1=CSC(=C1)C(=[OH+])CC(=[OH+])C(F)(F)F.C1=CSC(=C1)C(=[OH+])CC(=[OH+])C(F)(F)F.C1=CSC(=C1)C(=[OH+])CC(=[OH+])C(F)(F)F.[Gd]

InChI

InChI=1S/3C8H5F3O2S.Gd/c3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h3*1-3H,4H2;/p+6