cadmium(2+); (4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-sulfanyl-methanethiolate; tetrabutylazanium

Systemtic Name: cadmium(2+); (4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-sulfanyl-methanethiolate; tetrabutylazanium Openeye Name: cadmium(2+); (4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanyl-methanethiolate; tetrabutylammonium CAS Name: cadmium(2+); mercapto-(4-oxo-1-cyclohexa-2,5-dienylidene)methanethiolate; tetrabutylammonium IUPAC Name: cadmium(2+); (4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethanethiolate; tetrabutylazanium Traditional Name: cadmium(2+); (4-ketocyclohexa-2,5-dien-1-ylidene)-mercapto-methanethiolate; tetrabutylammonium Formula: C60H92CdN2O4S8 MolecularWeight: 1274.31448

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.C1=CC(=O)C=CC1=C(S)[S-].C1=CC(=O)C=CC1=C(S)[S-].C1=CC(=O)C=CC1=C(S)[S-].C1=CC(=O)C=CC1=C(S)[S-].[Cd+2]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.C1=CC(=O)C=CC1=C(S)[S-].C1=CC(=O)C=CC1=C(S)[S-].C1=CC(=O)C=CC1=C(S)[S-].C1=CC(=O)C=CC1=C(S)[S-].[Cd+2]

InChI

InChI=1S/2C16H36N.4C7H6OS2.Cd/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;4*8-6-3-1-5(2-4-6)7(9)10;/h2*5-16H2,1-4H3;4*1-4,9-10H;/q2*+1;;;;;+2/p-4