Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1OC(C(C=CC(=O)C(CC(C)C(O)C1C)C)C)CC |
SMILES_CANONICAL | CACTVS | 3.341 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)\C=C\[C@H]1C |
SMILES | CACTVS | 3.341 | CC[CH]1OC(=O)[CH](C)[CH](O)[CH](C)C[CH](C)C(=O)C=C[CH]1C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[C@@H]1[C@@H](\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O)C)C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CCC1C(C=CC(=O)C(CC(C(C(C(=O)O1)C)O)C)C)C |
InChI | InChI | 1.03 | InChI=1S/C17H28O4/c1-6-15-10(2)7-8-14(18)11(3)9-12(4)16(19)13(5)17(20)21-15/h7-8,10-13,15-16,19H,6,9H2,1-5H3/b8-7+/t10-,11-,12+,13-,15-,16+/m1/s1 |
InChIKey | InChI | 1.03 | NZUJVBSYQXETNF-PQWITYJESA-N |