A1D8F
Summary
| Name: | methyl 4-[(1~{E})-7-methyl-3-methylidene-octa-1,6-dienyl]-3,5-bis(oxidanyl)benzoate |
| Formula: | C18 H22 O4 |
| Formal charge: | 0 |
| Formula weight: | 302.365 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 4-[(1~{E})-7-methyl-3-methylidene-octa-1,6-dienyl]-3,5-bis(oxidanyl)benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H22O4/c1-12(2)6-5-7-13(3)8-9-15-16(19)10-14(11-17(15)20)18(21)22-4/h6,8-11,19-20H,3,5,7H2,1-2,4H3 |
| InChIKey | InChI | 1.06 | PSKNWWGSUGMQHR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1cc(O)c(\C=C\C(=C)CCC=C(C)C)c(O)c1 |
| SMILES | CACTVS | 3.385 | COC(=O)c1cc(O)c(C=CC(=C)CCC=C(C)C)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=CCCC(=C)/C=C/c1c(cc(cc1O)C(=O)OC)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCCC(=C)C=Cc1c(cc(cc1O)C(=O)OC)O)C |
