EL3
Summary
| Name: | (3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulene |
| Synonyms: | 2,2,3,7R-tetramethyl-1R,8S-tricyclo-[6.2.1.0(4,8)]undec-3-en |
| Formula: | C15 H24 |
| Formal charge: | 0 |
| Formula weight: | 204.351 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | C3(=C1CCC(C12CCC(C2)C3(C)C)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H]1CCC2=C(C)C(C)(C)[C@H]3CC[C@@]12C3 |
| SMILES | CACTVS | 3.341 | C[CH]1CCC2=C(C)C(C)(C)[CH]3CC[C]12C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H]1CCC2=C(C([C@H]3CC[C@@]12C3)(C)C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1CCC2=C(C(C3CCC12C3)(C)C)C |
| InChI | InChI | 1.03 | InChI=1S/C15H24/c1-10-5-6-13-11(2)14(3,4)12-7-8-15(10,13)9-12/h10,12H,5-9H2,1-4H3/t10-,12-,15+/m0/s1 |
| InChIKey | InChI | 1.03 | CYLSPJUZBPWJGC-ITDIGPHOSA-N |
