Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23) |
InChIKey | InChI | 1.03 | FHQXLWCFSUSXBF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1c[nH]c2cc(Cl)c(cc12)c3ccc(cc3)C4(O)CCC4 |
SMILES | CACTVS | 3.385 | OC(=O)c1c[nH]c2cc(Cl)c(cc12)c3ccc(cc3)C4(O)CCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc(ccc1c2cc3c(cc2Cl)[nH]cc3C(=O)O)C4(CCC4)O |
SMILES | OpenEye OEToolkits | 2.0.5 | c1cc(ccc1c2cc3c(cc2Cl)[nH]cc3C(=O)O)C4(CCC4)O |