A1EMO
Summary
| Name: | 6-[(2E,4E,6E)-6-methylocta-2,4,6-trien-2-yl]-4-oxidanyl-pyran-2-one |
| Formula: | C14 H16 O3 |
| Formal charge: | 0 |
| Formula weight: | 232.275 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-[(2~{E},4~{E},6~{E})-6-methylocta-2,4,6-trien-2-yl]-4-oxidanyl-pyran-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H16O3/c1-4-10(2)6-5-7-11(3)13-8-12(15)9-14(16)17-13/h4-9,15H,1-3H3/b6-5+,10-4+,11-7+ |
| InChIKey | InChI | 1.06 | XLEKERYMFDYNQR-DTBWVNQVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C\C=C(C)\C=C\C=C(C)\C1=CC(=CC(=O)O1)O |
| SMILES | CACTVS | 3.385 | CC=C(C)C=CC=C(C)C1=CC(=CC(=O)O1)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C=C(\C)/C=C/C=C(\C)/C1=CC(=CC(=O)O1)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC=C(C)C=CC=C(C)C1=CC(=CC(=O)O1)O |
