Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OC1CC(C)CCC1C(C)C)C1CC1C(=O)O |
InChI | InChI | 1.06 | InChI=1S/C15H24O4/c1-8(2)10-5-4-9(3)6-13(10)19-15(18)12-7-11(12)14(16)17/h8-13H,4-7H2,1-3H3,(H,16,17)/t9-,10+,11+,12+,13-/m1/s1 |
InChIKey | InChI | 1.06 | ZJAOAVRRNBJCLX-QNWJLWSRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]2C[C@@H]2C(O)=O |
SMILES | CACTVS | 3.385 | CC(C)[CH]1CC[CH](C)C[CH]1OC(=O)[CH]2C[CH]2C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]2C[C@@H]2C(=O)O)C(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCC(C(C1)OC(=O)C2CC2C(=O)O)C(C)C |