2-[[18,22-bis(oxidanylidene)-19-pentadecyl-nonatriacontan-20-yl]oxymethyl]-1,4-dioxonane-5,9-dione

Systemtic Name: 2-[[18,22-bis(oxidanylidene)-19-pentadecyl-nonatriacontan-20-yl]oxymethyl]-1,4-dioxonane-5,9-dione Openeye Name: 2-[[3-oxo-1-(2-oxononadecyl)-2-pentadecyl-icosoxy]methyl]-1,4-dioxonane-5,9-dione CAS Name: 2-[(18,22-dioxo-19-pentadecylnonatriacontan-20-yl)oxymethyl]-1,4-dioxonane-5,9-dione IUPAC Name: 2-[(18,22-dioxo-19-pentadecylnonatriacontan-20-yl)oxymethyl]-1,4-dioxonane-5,9-dione Traditional Name: 2-[[3-keto-1-(2-ketononadecyl)-2-pentadecyl-eicosoxy]methyl]-1,4-dioxonane-5,9-quinone Formula: C62H116O7 MolecularWeight: 973.58024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)CC(C(CCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC)OCC1COC(=O)CCCC(=O)O1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)CC(C(CCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC)OCC1COC(=O)CCCC(=O)O1

InChI

InChI=1S/C62H116O7/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-48-56(63)53-60(67-54-57-55-68-61(65)51-47-52-62(66)69-57)58(49-45-42-39-36-33-29-24-21-18-15-12-9-6-3)59(64)50-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h57-58,60H,4-55H2,1-3H3