RTL
Summary
| Name: | RETINOL |
| Formula: | C20 H30 O |
| Formal charge: | 0 |
| Formula weight: | 286.452 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | retinol |
| OpenEye OEToolkits | 2.0.7 | (2~{E},4~{E},6~{E},8~{E})-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(CCCC(=C1\C=C\C(=C\C=C\C(=C\CO)C)C)C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ |
| InChIKey | InChI | 1.03 | FPIPGXGPPPQFEQ-OVSJKPMPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=C\CO)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C |
| SMILES | CACTVS | 3.385 | CC(=CCO)C=CC=C(C)C=CC1=C(C)CCCC1(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C |
