(E)-2,2-dibutyl-12-oxidanyl-19-oxidanylidene-icos-9-enoic acid

Systemtic Name: (E)-2,2-dibutyl-12-oxidanyl-19-oxidanylidene-icos-9-enoic acid Openeye Name: (E)-2,2-dibutyl-12-hydroxy-19-oxo-icos-9-enoic acid CAS Name: (E)-2,2-dibutyl-12-hydroxy-19-oxo-9-eicosenoic acid IUPAC Name: (E)-2,2-dibutyl-12-hydroxy-19-oxoicos-9-enoic acid Traditional Name: (E)-2,2-dibutyl-12-hydroxy-19-keto-eicos-9-enoic acid Formula: C28H52O4 MolecularWeight: 452.71008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(CCCCCCC=CCC(CCCCCCC(=O)C)O)C(=O)O

Isomeric SMILES

CCCCC(CCCC)(CCCCCC/C=C/CC(CCCCCCC(=O)C)O)C(=O)O

InChI

InChI=1S/C28H52O4/c1-4-6-22-28(27(31)32,23-7-5-2)24-18-14-10-8-9-11-16-20-26(30)21-17-13-12-15-19-25(3)29/h11,16,26,30H,4-10,12-15,17-24H2,1-3H3,(H,31,32)/b16-11+