E4L
Summary
Name: | ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate |
Synonyms: | ethyl 2-(3,5-dihydroxy-2-octanoylphenyl)acetate |
Formula: | C18 H26 O5 |
Formal charge: | 0 |
Formula weight: | 322.396 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C18H26O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h10,12,19,21H,3-9,11H2,1-2H3 |
InChIKey | InChI | 1.03 | UVVWQQKSNZLUQA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCC |
SMILES | CACTVS | 3.385 | CCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCC(=O)c1c(cc(cc1O)O)CC(=O)OCC |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCC(=O)c1c(cc(cc1O)O)CC(=O)OCC |