38A
Summary
| Name: | (2,4,6-trimethylbenzene-1,3,5-triyl)trimethanol |
| Formula: | C12 H18 O3 |
| Formal charge: | 0 |
| Formula weight: | 210.27 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2,4,6-trimethylbenzene-1,3,5-triyl)trimethanol |
| OpenEye OEToolkits | 1.9.2 | [3,5-bis(hydroxymethyl)-2,4,6-trimethyl-phenyl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCc1c(c(c(c(c1C)CO)C)CO)C |
| InChI | InChI | 1.03 | InChI=1S/C12H18O3/c1-7-10(4-13)8(2)12(6-15)9(3)11(7)5-14/h13-15H,4-6H2,1-3H3 |
| InChIKey | InChI | 1.03 | RZPWWYFQBDXLBQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(CO)c(C)c(CO)c(C)c1CO |
| SMILES | CACTVS | 3.385 | Cc1c(CO)c(C)c(CO)c(C)c1CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(c(c(c(c1CO)C)CO)C)CO |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(c(c(c(c1CO)C)CO)C)CO |
