2W0
Summary
| Name: | (2E,4E,6Z,8E)-3,7-dimethyl-8-(5-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid |
| Formula: | C21 H24 O2 |
| Formal charge: | 0 |
| Formula weight: | 308.414 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E,4E,6Z,8E)-3,7-dimethyl-8-(5-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid |
| OpenEye OEToolkits | 1.7.6 | (2E,4E,6Z,8E)-3,7-dimethyl-8-(5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)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/c1cccc(c1CCC2)C)C)C |
| InChI | InChI | 1.03 | InChI=1S/C21H24O2/c1-15(7-4-8-16(2)14-21(22)23)13-18-10-6-11-19-17(3)9-5-12-20(18)19/h4-5,7-9,12-14H,6,10-11H2,1-3H3,(H,22,23)/b8-4+,15-7-,16-14+,18-13+ |
| InChIKey | InChI | 1.03 | PUNLLTFBKSEJRJ-MLZXBFFUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(/C=C/C=C(C)\C=C\1CCCc2c(C)cccc\12)=C\C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C=CC=C(C)C=C1CCCc2c(C)cccc12)=CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cccc\2c1CCC/C2=C\C(=C/C=C/C(=C/C(=O)O)/C)\C |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cccc2c1CCCC2=CC(=CC=CC(=CC(=O)O)C)C |
