| PDB CCD ID: | 6ZU |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H16 O5 S |
| InChI: | InChI=1S/C18H16O5S/c1-12-15-9-8-14(23-24(2,20)21)11-17(15)22-18(19)16(12)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3 |
| InChIKey: | FNVRQJZWEFVUOH-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC1=C(Cc2ccccc2)C(=O)Oc3cc(O[S](C)(=O)=O)ccc13 | | OpenEye OEToolkits 2.0.5 | CC1=C(C(=O)Oc2c1ccc(c2)OS(=O)(=O)C)Cc3ccccc3 | | ACDLabs 12.01 | c23OC(=O)C(Cc1ccccc1)=C(C)c2ccc(c3)OS(C)(=O)=O |
|
| Name: | 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate |
| ChEMBL: | CHEMBL4072973 |
| ZINC: | ZINC000003131800 |
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