| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2c1c(cccc1)C(=O)C(=C2C)C\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(/C)=C/CC1=C(C)C(=O)c2ccccc2C1=O |
| SMILES | CACTVS | 3.341 | CC(C)CCC[CH](C)CCC[CH](C)CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=C(C(=O)c2ccccc2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C |
| InChI | InChI | 1.03 | InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1 |
| InChIKey | InChI | 1.03 | MBWXNTAXLNYFJB-NKFFZRIASA-N |
