Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4ccc(SC=2C(OC(c1ccccc1O)(CC=2O)c3ccccc3)=O)c(c4)Cl |
InChI | InChI | 1.03 | InChI=1S/C23H17ClO4S/c24-17-11-5-7-13-20(17)29-21-19(26)14-23(28-22(21)27,15-8-2-1-3-9-15)16-10-4-6-12-18(16)25/h1-13,25-26H,14H2/t23-/m0/s1 |
InChIKey | InChI | 1.03 | ARSBHTFMIZULEW-QHCPKHFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC1=C(Sc2ccccc2Cl)C(=O)O[C@@](C1)(c3ccccc3)c4ccccc4O |
SMILES | CACTVS | 3.385 | OC1=C(Sc2ccccc2Cl)C(=O)O[C](C1)(c3ccccc3)c4ccccc4O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)[C@@]2(CC(=C(C(=O)O2)Sc3ccccc3Cl)O)c4ccccc4O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C2(CC(=C(C(=O)O2)Sc3ccccc3Cl)O)c4ccccc4O |