iron(3+); 4-methylbenzene-1,2-dithiolate; tetrabutylazanium

Systemtic Name: iron(3+); 4-methylbenzene-1,2-dithiolate; tetrabutylazanium Openeye Name: ferric; 4-methylbenzene-1,2-dithiolate; tetrabutylammonium CAS Name: iron(3+); 4-methylbenzene-1,2-dithiolate; tetrabutylammonium IUPAC Name: iron(3+); 4-methylbenzene-1,2-dithiolate; tetrabutylazanium Traditional Name: ferric; 4-methylbenzene-1,2-dithiolate; tetrabutylammonium Formula: C30H48FeNS4 MolecularWeight: 606.81382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CC1=CC(=C(C=C1)[S-])[S-].CC1=CC(=C(C=C1)[S-])[S-].[Fe+3]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CC1=CC(=C(C=C1)[S-])[S-].CC1=CC(=C(C=C1)[S-])[S-].[Fe+3]

InChI

InChI=1S/C16H36N.2C7H8S2.Fe/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*1-5-2-3-6(8)7(9)4-5;/h5-16H2,1-4H3;2*2-4,8-9H,1H3;/q+1;;;+3/p-4