(E)-12-oxidanylideneheptacos-9-enoic acid

Systemtic Name: (E)-12-oxidanylideneheptacos-9-enoic acid Openeye Name: (E)-12-oxoheptacos-9-enoic acid CAS Name: (E)-12-oxo-9-heptacosenoic acid IUPAC Name: (E)-12-oxoheptacos-9-enoic acid Traditional Name: (E)-12-ketoheptacos-9-enoic acid Formula: C27H50O3 MolecularWeight: 422.6841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)CC=CCCCCCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H50O3/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-23-26(28)24-21-18-15-12-13-16-19-22-25-27(29)30/h18,21H,2-17,19-20,22-25H2,1H3,(H,29,30)/b21-18+