4OX
Summary
Name: | 4-OXODECANEDIOIC ACID |
Synonyms: | 4-OXOSEBACIC ACID |
Formula: | C10 H16 O5 |
Formal charge: | 0 |
Formula weight: | 216.231 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 4-oxodecanedioic acid |
OpenEye OEToolkits | 1.5.0 | 4-oxodecanedioic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)CCC(=O)CCCCCC(=O)O |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCCCCC(=O)CCC(O)=O |
SMILES | CACTVS | 3.341 | OC(=O)CCCCCC(=O)CCC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CCC(=O)CCC(=O)O)CCC(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(CCC(=O)CCC(=O)O)CCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C10H16O5/c11-8(6-7-10(14)15)4-2-1-3-5-9(12)13/h1-7H2,(H,12,13)(H,14,15) |
InChIKey | InChI | 1.03 | XTQIBFVBYWIHIP-UHFFFAOYSA-N |