B3H
Summary
| Name: | (2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATE |
| Formula: | C16 H30 O5 |
| Formal charge: | 0 |
| Formula weight: | 302.406 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-(butanoyloxy)-3-hydroxypropyl nonanoate |
| OpenEye OEToolkits | 1.5.0 | [(2S)-2-butanoyloxy-3-hydroxy-propyl] nonanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OC(COC(=O)CCCCCCCC)CO)CCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC |
| SMILES | CACTVS | 3.341 | CCCCCCCCC(=O)OC[CH](CO)OC(=O)CCC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCC(=O)OCC(CO)OC(=O)CCC |
| InChI | InChI | 1.03 | InChI=1S/C16H30O5/c1-3-5-6-7-8-9-11-15(18)20-13-14(12-17)21-16(19)10-4-2/h14,17H,3-13H2,1-2H3/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | JCEXPOMAGTUEEX-AWEZNQCLSA-N |
