HE4
Summary
Name: | HEPTAN-1-OL |
Formula: | C7 H16 O |
Formal charge: | 0 |
Formula weight: | 116.201 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | heptan-1-ol |
OpenEye OEToolkits | 1.5.0 | heptan-1-ol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OCCCCCCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCO |
SMILES | CACTVS | 3.341 | CCCCCCCO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCO |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCO |
InChI | InChI | 1.03 | InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3 |
InChIKey | InChI | 1.03 | BBMCTIGTTCKYKF-UHFFFAOYSA-N |