2-hexadecyl-4-icosan-9-yl-3-oxidanylidene-icosanoic acid

Systemtic Name: 2-hexadecyl-4-icosan-9-yl-3-oxidanylidene-icosanoic acid Openeye Name: 2-hexadecyl-4-(1-octyldodecyl)-3-oxo-icosanoic acid CAS Name: 4-eicosan-9-yl-2-hexadecyl-3-oxoeicosanoic acid IUPAC Name: 2-hexadecyl-4-icosan-9-yl-3-oxoicosanoic acid Traditional Name: 2-cetyl-3-keto-4-(1-octyldodecyl)arachidic acid Formula: C56H110O3 MolecularWeight: 831.4708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(CCCCCCCC)CCCCCCCCCCC)C(=O)C(CCCCCCCCCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(CCCCCCCC)CCCCCCCCCCC)C(=O)C(CCCCCCCCCCCCCCCC)C(=O)O

InChI

InChI=1S/C56H110O3/c1-5-9-13-17-21-24-26-28-30-32-35-38-42-46-50-53(52(48-44-40-20-16-12-8-4)49-45-41-37-34-23-19-15-11-7-3)55(57)54(56(58)59)51-47-43-39-36-33-31-29-27-25-22-18-14-10-6-2/h52-54H,5-51H2,1-4H3,(H,58,59)