16-[1-(dioxidanyl)-12-heptan-4-yloxy-octadecoxy]-4-methoxy-4-propyl-docosan-5-one

Systemtic Name: 16-[1-(dioxidanyl)-12-heptan-4-yloxy-octadecoxy]-4-methoxy-4-propyl-docosan-5-one Openeye Name: 16-[1-hydroperoxy-12-(1-propylbutoxy)octadecoxy]-4-methoxy-4-propyl-docosan-5-one CAS Name: 16-(12-heptan-4-yloxy-1-hydroperoxyoctadecoxy)-4-methoxy-4-propyl-5-docosanone IUPAC Name: 16-(12-heptan-4-yloxy-1-hydroperoxyoctadecoxy)-4-methoxy-4-propyldocosan-5-one Traditional Name: 16-[1-hydroperoxy-12-(1-propylbutoxy)octadecoxy]-4-methoxy-4-propyl-docosan-5-one Formula: C51H102O6 MolecularWeight: 811.35198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCC(OC(CCCCCC)CCCCCCCCCCC(=O)C(CCC)(CCC)OC)OO)OC(CCC)CCC

Isomeric SMILES

CCCCCCC(CCCCCCCCCCC(OC(CCCCCC)CCCCCCCCCCC(=O)C(CCC)(CCC)OC)OO)OC(CCC)CCC

InChI

InChI=1S/C51H102O6/c1-8-14-16-30-38-47(55-46(36-10-3)37-11-4)39-32-26-22-19-21-25-29-35-43-50(57-53)56-48(40-31-17-15-9-2)41-33-27-23-18-20-24-28-34-42-49(52)51(54-7,44-12-5)45-13-6/h46-48,50,53H,8-45H2,1-7H3