A1D4L
Summary
| Name: | 3,6,9,12,15,18,21,24,27,30-decaoxadotriacontane-1,32-diol |
| Formula: | C22 H46 O12 |
| Formal charge: | 0 |
| Formula weight: | 502.593 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3,6,9,12,15,18,21,24,27,30-decaoxadotriacontane-1,32-diol |
| OpenEye OEToolkits | 3.1.0.0 | 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO |
| InChI | InChI | 1.06 | InChI=1S/C22H46O12/c23-1-3-25-5-7-27-9-11-29-13-15-31-17-19-33-21-22-34-20-18-32-16-14-30-12-10-28-8-6-26-4-2-24/h23-24H,1-22H2 |
| InChIKey | InChI | 1.06 | PSVXZQVXSXSQRO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO |
| SMILES | CACTVS | 3.385 | OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O |
