EOU
Summary
Name: | dimethyl (~{E})-but-2-enedioate |
Formula: | C6 H8 O4 |
Formal charge: | 0 |
Formula weight: | 144.125 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | dimethyl (~{E})-but-2-enedioate |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+ |
InChIKey | InChI | 1.03 | LDCRTTXIJACKKU-ONEGZZNKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)/C=C/C(=O)OC |
SMILES | CACTVS | 3.385 | COC(=O)C=CC(=O)OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)/C=C/C(=O)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)C=CC(=O)OC |