Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)CCC24OOC(c1ccccc12)(c3c4cccc3)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@@]12OO[C@@](CCC(O)=O)(c3ccccc13)c4ccccc24 |
SMILES | CACTVS | 3.341 | C[C]12OO[C](CCC(O)=O)(c3ccccc13)c4ccccc24 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC12c3ccccc3C(c4c1cccc4)(OO2)CCC(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC12c3ccccc3C(c4c1cccc4)(OO2)CCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C18H16O4/c1-17-12-6-2-4-8-14(12)18(22-21-17,11-10-16(19)20)15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3,(H,19,20)/t17-,18+ |
InChIKey | InChI | 1.03 | IOWYALZFEJOVHO-HDICACEKSA-N |