29V
Summary
| Name: | (3E,6Z,8E)-3,7-dimethyl-8-[(4S)-4-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]octa-3,6-dienoic acid |
| Formula: | C21 H26 O2 |
| Formal charge: | 0 |
| Formula weight: | 310.43 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3E,6Z,8E)-3,7-dimethyl-8-[(4S)-4-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]octa-3,6-dienoic acid |
| OpenEye OEToolkits | 1.7.6 | (3E,6Z,8E)-3,7-dimethyl-8-[(4S)-4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]octa-3,6-dienoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CC(=C\C/C=C(\C=C2\c1c(cccc1)C(CC2)C)C)\C |
| InChI | InChI | 1.03 | InChI=1S/C21H26O2/c1-15(7-6-8-16(2)14-21(22)23)13-18-12-11-17(3)19-9-4-5-10-20(18)19/h4-5,7-10,13,17H,6,11-12,14H2,1-3H3,(H,22,23)/b15-7-,16-8+,18-13+/t17-/m0/s1 |
| InChIKey | InChI | 1.03 | AAFLIKIWMRJTLU-JOVHMOHQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CC\C(=C/C(C)=C\C\C=C(/C)CC(O)=O)c2ccccc12 |
| SMILES | CACTVS | 3.385 | C[CH]1CCC(=CC(C)=CCC=C(C)CC(O)=O)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H]1CC/C(=C\C(=C/C/C=C(\C)/CC(=O)O)\C)/c2c1cccc2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1CCC(=CC(=CCC=C(C)CC(=O)O)C)c2c1cccc2 |
