797
Summary
| Name: | 3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL |
| Formula: | C17 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 277.274 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(6-hydroxynaphthalen-2-yl)-1,2-benzisoxazol-6-ol |
| OpenEye OEToolkits | 1.5.0 | 3-(6-hydroxynaphthalen-2-yl)-1,2-benzoxazol-6-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Oc4ccc3cc(c2noc1cc(O)ccc12)ccc3c4 |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc2c(onc2c3ccc4cc(O)ccc4c3)c1 |
| SMILES | CACTVS | 3.341 | Oc1ccc2c(onc2c3ccc4cc(O)ccc4c3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc2c1cc(cc2)O)c3c4ccc(cc4on3)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc2c1cc(cc2)O)c3c4ccc(cc4on3)O |
| InChI | InChI | 1.03 | InChI=1S/C17H11NO3/c19-13-4-3-10-7-12(2-1-11(10)8-13)17-15-6-5-14(20)9-16(15)21-18-17/h1-9,19-20H |
| InChIKey | InChI | 1.03 | LCGSYJVWLGYWTD-UHFFFAOYSA-N |
