CUB
Summary
| Name: | CU(I)-S-MO(IV)(=O)O-NBIC CLUSTER |
| Formula: | C5 H9 Cu Mo N O2 S |
| Formal charge: | 5 |
| Formula weight: | 306.681 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | mu-[(butylazanidyl-2kappaN)(oxido-1kappaO)(sulfido-1kappaS)methyl-1kappaC](oxo)molybdenumcopper(5+) |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [Cu+]N(CCCC)C12O[Mo+4]2(=O)S1 |
| InChI | InChI | 1.03 | InChI=1S/C5H9NOS.Cu.Mo.O/c1-2-3-4-6-5(7)8;;;/h2-4H2,1H3;;;/q-3;+2;+6; |
| InChIKey | InChI | 1.03 | KNSQHRMNQABPBN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCCN([Cu+])[C@@]12O[Mo+4]1(=O)S2 |
| SMILES | CACTVS | 3.370 | CCCCN([Cu+])[C]12O[Mo+4]1(=O)S2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCCCN([C@@]12O[Mo+4]1(=O)S2)[Cu+] |
| SMILES | OpenEye OEToolkits | 1.7.2 | CCCCN(C12O[Mo+4]1(=O)S2)[Cu+] |
