OI5
Summary
| Name: | (2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-propylcyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid |
| Formula: | C24 H36 O2 |
| Formal charge: | 0 |
| Formula weight: | 356.541 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-propylcyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{E},4~{E},6~{Z},8~{E})-3,7-dimethyl-8-[2-(3-methylbutyl)-3-propyl-cyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCCC=1CCC\C(=C/C(/C)=C\C=C\C(\C)=C\C(=O)O)C=1CCC(C)C |
| InChI | InChI | 1.03 | InChI=1S/C24H36O2/c1-6-9-21-12-8-13-22(23(21)15-14-18(2)3)16-19(4)10-7-11-20(5)17-24(25)26/h7,10-11,16-18H,6,8-9,12-15H2,1-5H3,(H,25,26)/b11-7+,19-10-,20-17+,22-16+ |
| InChIKey | InChI | 1.03 | AFPIKPIXJYHWHZ-JALBNXGMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC1=C(CCC(C)C)/C(CCC1)=C/C(C)=C\C=C\C(C)=C\C(O)=O |
| SMILES | CACTVS | 3.385 | CCCC1=C(CCC(C)C)C(CCC1)=CC(C)=CC=CC(C)=CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC1=C(/C(=C/C(=C\C=C\C(=C\C(=O)O)\C)/C)/CCC1)CCC(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC1=C(C(=CC(=CC=CC(=CC(=O)O)C)C)CCC1)CCC(C)C |
