E5N
Summary
Name: | (2~{R})-2-methylpentanedioic acid |
Formula: | C6 H10 O4 |
Formal charge: | 0 |
Formula weight: | 146.141 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | (2~{R})-2-methylpentanedioic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)/t4-/m1/s1 |
InChIKey | InChI | 1.03 | AQYCMVICBNBXNA-SCSAIBSYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](CCC(O)=O)C(O)=O |
SMILES | CACTVS | 3.385 | C[CH](CCC(O)=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H](CCC(=O)O)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(CCC(=O)O)C(=O)O |