(E)-18-[2-methyl-3-[(9E)-12-oxidanyloctadeca-1,9-dien-2-yl]peroxy-propyl]peroxyoctadec-9-en-7-ol

Systemtic Name: (E)-18-[2-methyl-3-[(9E)-12-oxidanyloctadeca-1,9-dien-2-yl]peroxy-propyl]peroxyoctadec-9-en-7-ol Openeye Name: (E)-18-[3-[(E)-11-hydroxy-1-methylene-heptadec-8-enyl]peroxy-2-methyl-propyl]peroxyoctadec-9-en-7-ol CAS Name: (E)-18-[3-[(9E)-12-hydroxyoctadeca-1,9-dien-2-yl]dioxy-2-methylpropyl]dioxy-9-octadecen-7-ol IUPAC Name: (E)-18-[3-[(9E)-12-hydroxyoctadeca-1,9-dien-2-yl]peroxy-2-methylpropyl]peroxyoctadec-9-en-7-ol Traditional Name: (E)-18-[3-[(E)-11-hydroxy-1-methylene-heptadec-8-enyl]peroxy-2-methyl-propyl]peroxyoctadec-9-en-7-ol Formula: C40H76O6 MolecularWeight: 653.02784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCCOOCC(C)COOC(=C)CCCCCCC=CCC(CCCCCC)O)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCCOOCC(C)COOC(=C)CCCCCC/C=C/CC(CCCCCC)O)O

InChI

InChI=1S/C40H76O6/c1-5-7-9-24-30-39(41)32-26-20-16-12-11-13-18-22-28-34-43-44-35-37(3)36-45-46-38(4)29-23-19-15-14-17-21-27-33-40(42)31-25-10-8-6-2/h20-21,26-27,37,39-42H,4-19,22-25,28-36H2,1-3H3/b26-20+,27-21+