16-methylheptadecyl 12-hexyl-2-oxidanyl-13-oxidanylidene-triacontanoate

Systemtic Name: 16-methylheptadecyl 12-hexyl-2-oxidanyl-13-oxidanylidene-triacontanoate Openeye Name: 16-methylheptadecyl 12-hexyl-2-hydroxy-13-oxo-triacontanoate CAS Name: 12-hexyl-2-hydroxy-13-oxotriacontanoic acid 16-methylheptadecyl ester IUPAC Name: 16-methylheptadecyl 12-hexyl-2-hydroxy-13-oxotriacontanoate Traditional Name: 12-hexyl-2-hydroxy-13-keto-melissic acid 16-methylheptadecyl ester Formula: C54H106O4 MolecularWeight: 819.41704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(CCCCCC)CCCCCCCCCC(C(=O)OCCCCCCCCCCCCCCCC(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(CCCCCC)CCCCCCCCCC(C(=O)OCCCCCCCCCCCCCCCC(C)C)O

InChI

InChI=1S/C54H106O4/c1-5-7-9-11-12-13-14-15-16-19-22-25-30-35-41-47-52(55)51(45-39-10-8-6-2)46-40-34-29-27-31-36-42-48-53(56)54(57)58-49-43-37-32-26-23-20-17-18-21-24-28-33-38-44-50(3)4/h50-51,53,56H,5-49H2,1-4H3