Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Oc3cc(c(C1=CS(C=C1c2c(C)cc(cc2)O)(=O)=O)cc3)C |
InChI | InChI | 1.03 | InChI=1S/C18H16O4S/c1-11-7-13(19)3-5-15(11)17-9-23(21,22)10-18(17)16-6-4-14(20)8-12(16)2/h3-10,19-20H,1-2H3 |
InChIKey | InChI | 1.03 | VCJJRUDBJHAKJP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(O)ccc1C2=C[S](=O)(=O)C=C2c3ccc(O)cc3C |
SMILES | CACTVS | 3.385 | Cc1cc(O)ccc1C2=C[S](=O)(=O)C=C2c3ccc(O)cc3C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1cc(ccc1C2=CS(=O)(=O)C=C2c3ccc(cc3C)O)O |
SMILES | OpenEye OEToolkits | 2.0.4 | Cc1cc(ccc1C2=CS(=O)(=O)C=C2c3ccc(cc3C)O)O |