Structural Complex
Chemical ID: A1FAZ
IUPAC Name: docosanal
Formal Charge: 0
Type: non-polymer
Physiochemical Descriptor:
Formula: C22 H44 O
Molecular weight: 324.584
Hydrogen Bond Acceptor: 1
Hydrogen Bond Donor: 0
Rotatable Bonds: 20
Heavy Atoms: 23
Systematic name
Program Version Descriptor
OpenEye OEToolkits 2.0.7 docosanal
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.06 InChI=1S/C22H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h22H,2-21H2,1H3
InChIKey InChI 1.06 ULCXRAFXRZTNRO-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 CCCCCCCCCCCCCCCCCCCCCC=O
SMILES CACTVS 3.385 CCCCCCCCCCCCCCCCCCCCCC=O
SMILES_CANONICAL OpenEye OEToolkits 2.0.7 CCCCCCCCCCCCCCCCCCCCCC=O
SMILES OpenEye OEToolkits 2.0.7 CCCCCCCCCCCCCCCCCCCCCC=O
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