7I3
Summary
| Name: | (Z)-6-methyl-2,3-bis(oxidanyl)hept-2-enoic acid |
| Synonyms: | (Z)-2,3-dihydroxy-6-methyl-hept-2-enoate |
| Formula: | C8 H14 O4 |
| Formal charge: | 0 |
| Formula weight: | 174.194 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{Z})-6-methyl-2,3-bis(oxidanyl)hept-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H14O4/c1-5(2)3-4-6(9)7(10)8(11)12/h5,9-10H,3-4H2,1-2H3,(H,11,12)/b7-6- |
| InChIKey | InChI | 1.03 | MHACUELYCODFFE-SREVYHEPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CC\C(O)=C(O)/C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)CCC(O)=C(O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)CC/C(=C(\C(=O)O)/O)/O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CCC(=C(C(=O)O)O)O |
