(E)-2-icosan-9-yldocos-13-enoic acid

Systemtic Name: (E)-2-icosan-9-yldocos-13-enoic acid Openeye Name: (E)-2-(1-octyldodecyl)docos-13-enoic acid CAS Name: (E)-2-eicosan-9-yl-13-docosenoic acid IUPAC Name: (E)-2-icosan-9-yldocos-13-enoic acid Traditional Name: (E)-2-(1-octyldodecyl)docos-13-enoic acid Formula: C42H82O2 MolecularWeight: 619.09928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCCCCCC)C(CCCCCCCCCCC=CCCCCCCCC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C42H82O2/c1-4-7-10-13-16-18-19-20-21-22-23-24-25-26-28-30-33-36-39-41(42(43)44)40(37-34-31-15-12-9-6-3)38-35-32-29-27-17-14-11-8-5-2/h20-21,40-41H,4-19,22-39H2,1-3H3,(H,43,44)/b21-20+