(3E)-5-(hydroxymethyl)-3-octadecylidene-5-[(E)-3-oxidanylidenebut-1-enyl]oxolan-2-one

Systemtic Name: (3E)-5-(hydroxymethyl)-3-octadecylidene-5-[(E)-3-oxidanylidenebut-1-enyl]oxolan-2-one Openeye Name: (3E)-5-(hydroxymethyl)-3-octadecylidene-5-[(E)-3-oxobut-1-enyl]tetrahydrofuran-2-one CAS Name: (3E)-5-(hydroxymethyl)-3-octadecylidene-5-[(E)-3-oxobut-1-enyl]-2-oxolanone IUPAC Name: (3E)-5-(hydroxymethyl)-3-octadecylidene-5-[(E)-3-oxobut-1-enyl]oxolan-2-one Traditional Name: (3E)-5-[(E)-3-ketobut-1-enyl]-5-methylol-3-octadecylidene-tetrahydrofuran-2-one Formula: C27H46O4 MolecularWeight: 434.65174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC=C1CC(OC1=O)(CO)C=CC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC/C=C/1\CC(OC1=O)(CO)/C=C/C(=O)C

InChI

InChI=1S/C27H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-22-27(23-28,31-26(25)30)21-20-24(2)29/h19-21,28H,3-18,22-23H2,1-2H3/b21-20+,25-19+