8MO
Summary
| Name: | METHOXSALEN |
| Synonyms: | 9-METHOXY-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE |
| Formula: | C12 H8 O4 |
| Formal charge: | 0 |
| Formula weight: | 216.19 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 9-methoxy-7H-furo[3,2-g]chromen-7-one |
| OpenEye OEToolkits | 1.5.0 | 9-methoxypyrano[5,6-f][1]benzoxol-7-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C3Oc2c(OC)c1occc1cc2C=C3 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1c2occc2cc3C=CC(=O)Oc13 |
| SMILES | CACTVS | 3.341 | COc1c2occc2cc3C=CC(=O)Oc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1c2c(cco2)cc3c1OC(=O)C=C3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1c2c(cco2)cc3c1OC(=O)C=C3 |
| InChI | InChI | 1.03 | InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3 |
| InChIKey | InChI | 1.03 | QXKHYNVANLEOEG-UHFFFAOYSA-N |
