D5O
Summary
| Name: | 3-(cyclohexylmethyl)-6,8-bis(oxidanyl)isochromen-1-one |
| Formula: | C16 H18 O4 |
| Formal charge: | 0 |
| Formula weight: | 274.312 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(cyclohexylmethyl)-6,8-bis(oxidanyl)isochromen-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H18O4/c17-12-7-11-8-13(6-10-4-2-1-3-5-10)20-16(19)15(11)14(18)9-12/h7-10,17-18H,1-6H2 |
| InChIKey | InChI | 1.03 | ZYQPLLMXINVPHW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(O)c2C(=O)OC(=Cc2c1)CC3CCCCC3 |
| SMILES | CACTVS | 3.385 | Oc1cc(O)c2C(=O)OC(=Cc2c1)CC3CCCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(c2c1C=C(OC2=O)CC3CCCCC3)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(c2c1C=C(OC2=O)CC3CCCCC3)O)O |
