(E)-2,2-di(hexadecanoyl)octadec-9-enal

Systemtic Name: (E)-2,2-di(hexadecanoyl)octadec-9-enal Openeye Name: (E)-2,2-di(hexadecanoyl)octadec-9-enal CAS Name: (E)-2,2-bis(1-oxohexadecyl)-9-octadecenal IUPAC Name: (E)-2,2-di(hexadecanoyl)octadec-9-enal Traditional Name: (E)-2,2-di(hexadecanoyl)octadec-9-enal Formula: C50H94O3 MolecularWeight: 743.27956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(CCCCCCC=CCCCCCCCC)(C=O)C(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(CCCCCC/C=C/CCCCCCCC)(C=O)C(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C50H94O3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-50(47-51,48(52)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)49(53)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25,28,47H,4-24,26-27,29-46H2,1-3H3/b28-25+