GR2
Summary
| Name: | (3E,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one |
| Formula: | C17 H14 O5 |
| Formal charge: | 0 |
| Formula weight: | 298.29 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3E,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one |
| OpenEye OEToolkits | 1.9.2 | (3E,3aR,8bS)-3-[[(2R)-4-methyl-5-oxidanylidene-2H-furan-2-yl]oxymethylidene]-4,8b-dihydro-3aH-indeno[1,2-b]furan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c12CC3C(c1cccc2)OC(=O)C3=[C@H]OC4C=C(C)C(=O)O4 |
| InChI | InChI | 1.03 | InChI=1S/C17H14O5/c1-9-6-14(21-16(9)18)20-8-13-12-7-10-4-2-3-5-11(10)15(12)22-17(13)19/h2-6,8,12,14-15H,7H2,1H3/b13-8+/t12-,14-,15-/m1/s1 |
| InChIKey | InChI | 1.03 | XHSDUVBUZOUAOQ-WJQMYRPNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=C[C@H](O\C=C2/[C@H]3Cc4ccccc4[C@H]3OC2=O)OC1=O |
| SMILES | CACTVS | 3.385 | CC1=C[CH](OC=C2[CH]3Cc4ccccc4[CH]3OC2=O)OC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC1=C[C@@H](OC1=O)O/C=C/2\[C@H]3Cc4ccccc4[C@H]3OC2=O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC1=CC(OC1=O)OC=C2C3Cc4ccccc4C3OC2=O |
