1O8
Summary
| Name: | (2E,4E,6Z,8E)-8-(3,4-dihydronaphthalen-1(2H)-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid |
| Formula: | C20 H22 O2 |
| Formal charge: | 0 |
| Formula weight: | 294.387 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E,4E,6Z,8E)-8-(3,4-dihydronaphthalen-1(2H)-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid |
| OpenEye OEToolkits | 1.7.6 | (2E,4E,6Z,8E)-8-(3,4-dihydro-2H-naphthalen-1-ylidene)-3,7-dimethyl-octa-2,4,6-trienoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)\C=C(\C=C\C=C(/C=C2/c1ccccc1CCC2)C)C |
| InChI | InChI | 1.03 | InChI=1S/C20H22O2/c1-15(7-5-8-16(2)14-20(21)22)13-18-11-6-10-17-9-3-4-12-19(17)18/h3-5,7-9,12-14H,6,10-11H2,1-2H3,(H,21,22)/b8-5+,15-7-,16-14+,18-13+ |
| InChIKey | InChI | 1.03 | PPGNMFUMZSAZCW-VOYUZAMQSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(/C=C/C=C(C)\C=C1/CCCc2ccccc12)=C\C(O)=O |
| SMILES | CACTVS | 3.370 | CC(C=CC=C(C)C=C1CCCc2ccccc12)=CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C/C(=C\C(=O)O)/C=C/C=C(/C)\C=C\1/CCCc2c1cccc2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=CC(=O)O)C=CC=C(C)C=C1CCCc2c1cccc2 |
