PSO
Summary
| Name: | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN |
| Formula: | C15 H14 O4 |
| Formal charge: | 0 |
| Formula weight: | 258.269 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(hydroxymethyl)-2,5,9-trimethyl-7H-furo[3,2-g]chromen-7-one |
| OpenEye OEToolkits | 1.5.0 | 3-(hydroxymethyl)-2,5,9-trimethyl-furo[3,2-g]chromen-7-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C3Oc2c(c1oc(c(c1cc2C(=C3)C)CO)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1oc2c(C)c3OC(=O)C=C(C)c3cc2c1CO |
| SMILES | CACTVS | 3.341 | Cc1oc2c(C)c3OC(=O)C=C(C)c3cc2c1CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c2c(cc3c1OC(=O)C=C3C)c(c(o2)C)CO |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c2c(cc3c1OC(=O)C=C3C)c(c(o2)C)CO |
| InChI | InChI | 1.03 | InChI=1S/C15H14O4/c1-7-4-13(17)19-14-8(2)15-11(5-10(7)14)12(6-16)9(3)18-15/h4-5,16H,6H2,1-3H3 |
| InChIKey | InChI | 1.03 | RGJSDHXSAKMPNM-UHFFFAOYSA-N |
