1WV
Summary
| Name: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate |
| Formula: | C17 H32 O4 |
| Formal charge: | 0 |
| Formula weight: | 300.434 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate |
| OpenEye OEToolkits | 1.7.6 | [(2S)-2,3-bis(oxidanyl)propyl] tetradec-7-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC(O)CO)CCCCC/C=C/CCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h7-8,16,18-19H,2-6,9-15H2,1H3/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | LVBAGTJIDOCNIJ-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC\C=C/CCCCCC(=O)OC[C@@H](O)CO |
| SMILES | CACTVS | 3.385 | CCCCCCC=CCCCCCC(=O)OC[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCC=CCCCCCC(=O)OC[C@H](CO)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCC=CCCCCCC(=O)OCC(CO)O |
