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

Systemtic Name: (E)-2-butyl-12-oxidanyl-19-oxidanylidene-icos-9-enoic acid Openeye Name: (E)-2-butyl-12-hydroxy-19-oxo-icos-9-enoic acid CAS Name: (E)-2-butyl-12-hydroxy-19-oxo-9-eicosenoic acid IUPAC Name: (E)-2-butyl-12-hydroxy-19-oxoicos-9-enoic acid Traditional Name: (E)-2-butyl-12-hydroxy-19-keto-eicos-9-enoic acid Formula: C24H44O4 MolecularWeight: 396.60376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H44O4/c1-3-4-17-22(24(27)28)18-13-8-6-5-7-9-14-19-23(26)20-15-11-10-12-16-21(2)25/h9,14,22-23,26H,3-8,10-13,15-20H2,1-2H3,(H,27,28)/b14-9+