(E)-2-octadecyldocos-13-enoic acid

Systemtic Name: (E)-2-octadecyldocos-13-enoic acid Openeye Name: (E)-2-octadecyldocos-13-enoic acid CAS Name: (E)-2-octadecyl-13-docosenoic acid IUPAC Name: (E)-2-octadecyldocos-13-enoic acid Traditional Name: (E)-2-stearyldocos-13-enoic acid Formula: C40H78O2 MolecularWeight: 591.04612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCC=CCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCC/C=C/CCCCCCCC)C(=O)O

InChI

InChI=1S/C40H78O2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-39(40(41)42)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17,19,39H,3-16,18,20-38H2,1-2H3,(H,41,42)/b19-17+