octadecyl 12-hexyl-2-oxidanyl-13-oxidanylidene-triacontanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CCCCCCCCCC(CCCCCC)C(=O)CCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CCCCCCCCCC(CCCCCC)C(=O)CCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C54H106O4/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-36-40-45-50-58-54(57)53(56)49-44-39-35-32-33-37-42-47-51(46-41-12-9-6-3)52(55)48-43-38-34-30-28-26-24-22-20-18-16-14-11-8-5-2/h51,53,56H,4-50H2,1-3H3