Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C3c4ccccc4C(O)=C(O)\C3=C2/CCC(c1ccc(Cl)cc1)CC2 |
SMILES_CANONICAL | CACTVS | 3.341 | OC1=C(O)[C](=[C@@]2CC[CH](CC2)c3ccc(Cl)cc3)C(=O)c4ccccc14 |
SMILES | CACTVS | 3.341 | OC1=C(O)[C](=[C]2CC[CH](CC2)c3ccc(Cl)cc3)C(=O)c4ccccc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=C(C(=C3CCC(CC3)c4ccc(cc4)Cl)C2=O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=C(C(=C3CCC(CC3)c4ccc(cc4)Cl)C2=O)O)O |
InChI | InChI | 1.03 | InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,25-26H,5-8H2/t13- |
InChIKey | InChI | 1.03 | HKIDMHSZRQSXJE-RNMGOYHCSA-N |