6GT
Summary
Name: | 2-oxoheptanedioic acid |
Synonyms: | 2-Ketopimelic acid |
Formula: | C7 H10 O5 |
Formal charge: | 0 |
Formula weight: | 174.151 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 2-oxoheptanedioic acid |
OpenEye OEToolkits | 2.0.4 | 2-oxidanylideneheptanedioic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(CCCCC(C(=O)O)=O)O |
InChI | InChI | 1.03 | InChI=1S/C7H10O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-4H2,(H,9,10)(H,11,12) |
InChIKey | InChI | 1.03 | HABHUTWTLGRDDU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCCCC(=O)C(O)=O |
SMILES | CACTVS | 3.385 | OC(=O)CCCCC(=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C(CCC(=O)O)CC(=O)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.4 | C(CCC(=O)O)CC(=O)C(=O)O |