1US
Summary
| Name: | 2-(2-chloranylphenoxy)-5-hexyl-phenol |
| Formula: | C18 H21 Cl O2 |
| Formal charge: | 0 |
| Formula weight: | 304.811 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(2-chlorophenoxy)-5-hexylphenol |
| OpenEye OEToolkits | 1.9.2 | 2-(2-chloranylphenoxy)-5-hexyl-phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc2ccccc2Oc1ccc(cc1O)CCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C18H21ClO2/c1-2-3-4-5-8-14-11-12-18(16(20)13-14)21-17-10-7-6-9-15(17)19/h6-7,9-13,20H,2-5,8H2,1H3 |
| InChIKey | InChI | 1.03 | QXCNLBOWURGQPC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCc1ccc(Oc2ccccc2Cl)c(O)c1 |
| SMILES | CACTVS | 3.385 | CCCCCCc1ccc(Oc2ccccc2Cl)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCCCc1ccc(c(c1)O)Oc2ccccc2Cl |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCCc1ccc(c(c1)O)Oc2ccccc2Cl |
