GRQ
Summary
Name: | Geranaldehyde |
Formula: | C10 H16 O |
Formal charge: | 0 |
Formula weight: | 152.233 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | (2~{E})-3,7-dimethylocta-2,6-dienal |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+ |
InChIKey | InChI | 1.03 | WTEVQBCEXWBHNA-JXMROGBWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCC/C(C)=C/C=O |
SMILES | CACTVS | 3.385 | CC(C)=CCCC(C)=CC=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=CCC/C(=C/C=O)/C)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(=CCCC(=CC=O)C)C |