Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C10H14.C9H10N2.2ClH.Os/c1-8(2)10-6-4-9(3)5-7-10;1-10-7-11(2)9-6-4-3-5-8(9)10;;;/h4-8H,1-3H3;3-6H,1-2H3;2*1H;/q;;;;+2/p-2 |
InChIKey | InChI | 1.03 | HTBSTFDYMNQUHX-UHFFFAOYSA-L |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@@]12CC[C@@](C)(CC1)[Os]2(Cl)(Cl)c3n(C)c4ccccc4[n]3C |
SMILES | CACTVS | 3.385 | CC(C)[C]12CC[C](C)(CC1)[Os]2(Cl)(Cl)c3n(C)c4ccccc4[n]3C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C12[C]3[Os]1456([C]3C4([C]5[C]62)C)(C7=[N](c8ccccc8N7C)C)(Cl)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C12[C]3[Os]1456([C]3C4([C]5[C]62)C)(C7=[N](c8ccccc8N7C)C)(Cl)Cl |