| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C31H46O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31-29(33)27-19-8-7-18-26(27)28(32)30(31,6)34-31/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-,30-,31+/m1/s1 |
| InChIKey | InChI | 1.06 | KUTXFBIHPWIDJQ-BTPXSFBUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\C[C@@]12O[C@]1(C)C(=O)c3ccccc3C2=O |
| SMILES | CACTVS | 3.385 | CC(C)CCC[CH](C)CCC[CH](C)CCCC(C)=CC[C]12O[C]1(C)C(=O)c3ccccc3C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](CCC[C@@H](C)CCC/C(=C/C[C@]12C(=O)c3ccccc3C(=O)[C@]1(O2)C)/C)CCCC(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CCCC(C)CCCC(C)CCCC(=CCC12C(=O)c3ccccc3C(=O)C1(O2)C)C |
