Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1C(O)=CC(=C2C(=C1O)CCC(C(=C)\C)C2)C |
SMILES_CANONICAL | CACTVS | 3.370 | CC(=C)[C@H]1CCC2=C(O)C(=O)C(=CC(=C2C1)C)O |
SMILES | CACTVS | 3.370 | CC(=C)[CH]1CCC2=C(O)C(=O)C(=CC(=C2C1)C)O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC1=C2C[C@H](CCC2=C(C(=O)C(=C1)O)O)C(=C)C |
SMILES | OpenEye OEToolkits | 1.7.0 | CC1=C2CC(CCC2=C(C(=O)C(=C1)O)O)C(=C)C |
InChI | InChI | 1.03 | InChI=1S/C15H18O3/c1-8(2)10-4-5-11-12(7-10)9(3)6-13(16)15(18)14(11)17/h6,10H,1,4-5,7H2,2-3H3,(H2,16,17,18)/t10-/m0/s1 |
InChIKey | InChI | 1.03 | XZCVMNQLRNHDOD-JTQLQIEISA-N |