(2,3-dimethylphenyl)tin(3+); iron(6+); tetracosacyanide

Systemtic Name: (2,3-dimethylphenyl)tin(3+); iron(6+); tetracosacyanide Openeye Name: (2,3-dimethylphenyl)tin(3+); iron(6+); tetracosacyanide CAS Name: (2,3-dimethylphenyl)tin(3+); iron(6+); tetracosacyanide IUPAC Name: (2,3-dimethylphenyl)tin(3+); iron(6+); tetracosacyanide Traditional Name: (2,3-dimethylphenyl)tin(3+); iron(6+); tetracosacyanide Formula: C56H36Fe4N24Sn4+12 MolecularWeight: 1743.26584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[Sn+3])C.CC1=C(C(=CC=C1)[Sn+3])C.CC1=C(C(=CC=C1)[Sn+3])C.CC1=C(C(=CC=C1)[Sn+3])C.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+6].[Fe+6].[Fe+6].[Fe+6]

Isomeric SMILES

CC1=C(C(=CC=C1)[Sn+3])C.CC1=C(C(=CC=C1)[Sn+3])C.CC1=C(C(=CC=C1)[Sn+3])C.CC1=C(C(=CC=C1)[Sn+3])C.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+6].[Fe+6].[Fe+6].[Fe+6]

InChI

InChI=1S/4C8H9.24CN.4Fe.4Sn/c4*1-7-5-3-4-6-8(7)2;24*1-2;;;;;;;;/h4*3-5H,1-2H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;24*-1;4*+6;4*+3