A1CXN
Summary
| Name: | (5,6-dihydroxy-1,3-benzothiazol-2-yl)(3,4-dihydroxyphenyl)methanone |
| Formula: | C14 H9 N O5 S |
| Formal charge: | 0 |
| Formula weight: | 303.29 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (5,6-dihydroxy-1,3-benzothiazol-2-yl)(3,4-dihydroxyphenyl)methanone |
| OpenEye OEToolkits | 3.1.0.0 | [5,6-bis(oxidanyl)-1,3-benzothiazol-2-yl]-[3,4-bis(oxidanyl)phenyl]methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Oc1ccc(cc1O)C(=O)c1nc2cc(O)c(O)cc2s1 |
| InChI | InChI | 1.06 | InChI=1S/C14H9NO5S/c16-8-2-1-6(3-9(8)17)13(20)14-15-7-4-10(18)11(19)5-12(7)21-14/h1-5,16-19H |
| InChIKey | InChI | 1.06 | MARWCTRWSRPWOL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1O)C(=O)c2sc3cc(O)c(O)cc3n2 |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1O)C(=O)c2sc3cc(O)c(O)cc3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1C(=O)c2nc3cc(c(cc3s2)O)O)O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1C(=O)c2nc3cc(c(cc3s2)O)O)O)O |
