DC6
Summary
| Name: | ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate |
| Formula: | C14 H22 O5 |
| Formal charge: | 0 |
| Formula weight: | 270.321 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H22O5/c1-13(2,3)19-11(16)9-8-14(4,12(17)18-5)7-6-10(9)15/h9H,6-8H2,1-5H3/t9-,14+/m0/s1 |
| InChIKey | InChI | 1.06 | KLZBEQAKBDGOQP-LKFCYVNXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@]1(C)CCC(=O)[C@H](C1)C(=O)OC(C)(C)C |
| SMILES | CACTVS | 3.385 | COC(=O)[C]1(C)CCC(=O)[CH](C1)C(=O)OC(C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@]1(CCC(=O)[C@H](C1)C(=O)OC(C)(C)C)C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CCC(=O)C(C1)C(=O)OC(C)(C)C)C(=O)OC |
