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

Systemtic Name: (2,3-dimethylphenyl)tin(3+); iron(6+); octadecacyanide Openeye Name: (2,3-dimethylphenyl)tin(3+); iron(6+); octadecacyanide CAS Name: (2,3-dimethylphenyl)tin(3+); iron(6+); octadecacyanide IUPAC Name: (2,3-dimethylphenyl)tin(3+); iron(6+); octadecacyanide Traditional Name: (2,3-dimethylphenyl)tin(3+); iron(6+); octadecacyanide Formula: C42H27Fe3N18Sn3+9 MolecularWeight: 1307.44938

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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.[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]

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.[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]

InChI

InChI=1S/3C8H9.18CN.3Fe.3Sn/c3*1-7-5-3-4-6-8(7)2;18*1-2;;;;;;/h3*3-5H,1-2H3;;;;;;;;;;;;;;;;;;;;;;;;/q;;;18*-1;3*+6;3*+3