93882-44-1 Purity
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Specification
PubChem CID 46829459.
The molecular formula is C38H74O2.
The synonyms are Octadecyl icosenoate, EINECS 299-442-7, 93882-47-4, and Eicosenoic acid, octadecyl ester.
The molecular weight is 563.0 g/mol.
The IUPAC name is octadecyl (E)-icos-2-enoate.
The InChI is "InChI=1S/C38H74O2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h34,36H,3-33,35,37H2,1-2H3/b36-34+"
The InChIKey is "PPGOWGAGXXVWTC-JMUUFCRMSA-N".
The Canonical SMILES is "CCCCCCCCCCCCCCCCCOC(=O)C=CCCCCCCCCCCCCCCCCC".
The Isomeric SMILES is "CCCCCCCCCCCCCCCCCOC(=O)/C=C/CCCCCCCCCCCCCCCCC".
The CAS number is 93882-47-4.