A1L1M
Summary
| Name: | (7E)-6-methyl-8-[(4S)-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octa-3,5,7-trien-2-one |
| Formula: | C18 H26 O2 |
| Formal charge: | 0 |
| Formula weight: | 274.398 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (7~{E})-6-methyl-8-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octa-3,5,7-trien-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m0/s1 |
| InChIKey | InChI | 1.06 | JLNMEHQAHDSEEE-FRIDJMAZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)\C=C\C=C(C)\C=C\C1=C(C)C[C@H](O)CC1(C)C |
| SMILES | CACTVS | 3.385 | CC(=O)C=CC=C(C)C=CC1=C(C)C[CH](O)CC1(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C(C(C[C@H](C1)O)(C)C)/C=C/C(=CC=CC(=O)C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=O)C)C |
