4-morpholin-4-ylsulfonylbenzene-1,2-dithiolate; nickel(3+); tetrabutylazanium

Systemtic Name: 4-morpholin-4-ylsulfonylbenzene-1,2-dithiolate; nickel(3+); tetrabutylazanium Openeye Name: nickelic; 4-morpholinosulfonylbenzene-1,2-dithiolate; tetrabutylammonium CAS Name: 4-(4-morpholinylsulfonyl)benzene-1,2-dithiolate; nickel(3+); tetrabutylammonium IUPAC Name: 4-morpholin-4-ylsulfonylbenzene-1,2-dithiolate; nickel(3+); tetrabutylazanium Traditional Name: nickelic; 4-morpholinosulfonylbenzene-1,2-dithiolate; tetrabutylammonium Formula: C36H58N3NiO6S6 MolecularWeight: 879.94562

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)[S-])[S-].C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)[S-])[S-].[Ni+3]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)[S-])[S-].C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)[S-])[S-].[Ni+3]

InChI

InChI=1S/C16H36N.2C10H13NO3S3.Ni/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*12-17(13,11-3-5-14-6-4-11)8-1-2-9(15)10(16)7-8;/h5-16H2,1-4H3;2*1-2,7,15-16H,3-6H2;/q+1;;;+3/p-4