SSV
Summary
| Name: | (3E,5E,7E,9E,11E,13E)-pentadeca-3,5,7,9,11,13-hexaen-2-one |
| Formula: | C15 H18 O |
| Formal charge: | 0 |
| Formula weight: | 214.303 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3E,5E,7E,9E,11E,13E)-pentadeca-3,5,7,9,11,13-hexaen-2-one |
| OpenEye OEToolkits | 1.6.1 | (3E,5E,7E,9E,11E,13E)-pentadeca-3,5,7,9,11,13-hexaen-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(\C=C\C=C\C=C\C=C\C=C\C=C\C)C |
| SMILES_CANONICAL | CACTVS | 3.352 | C/C=C/C=C/C=C/C=C/C=C/C=C/C(C)=O |
| SMILES | CACTVS | 3.352 | CC=CC=CC=CC=CC=CC=CC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C\C=C\C=C\C=C\C=C\C=C\C=C\C(=O)C |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC=CC=CC=CC=CC=CC=CC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C15H18O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-14H,1-2H3/b4-3+,6-5+,8-7+,10-9+,12-11+,14-13+ |
| InChIKey | InChI | 1.03 | IKKRHADMXZRWGK-IDFWPVMJSA-N |
