(E)-12-oxidanyl-2-(2-oxidanylidenehexan-3-yl)octadec-9-enoate

Systemtic Name: (E)-12-oxidanyl-2-(2-oxidanylidenehexan-3-yl)octadec-9-enoate Openeye Name: (E)-2-(1-acetylbutyl)-12-hydroxy-octadec-9-enoate CAS Name: (E)-12-hydroxy-2-(2-oxohexan-3-yl)-9-octadecenoate IUPAC Name: (E)-12-hydroxy-2-(2-oxohexan-3-yl)octadec-9-enoate Traditional Name: (E)-2-(1-acetylbutyl)-12-hydroxy-octadec-9-enoate Formula: C24H43O4- MolecularWeight: 395.59582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCC(C(CCC)C(=O)C)C(=O)[O-])O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCC(C(CCC)C(=O)C)C(=O)[O-])O

InChI

InChI=1S/C24H44O4/c1-4-6-7-13-17-21(26)18-14-11-9-8-10-12-15-19-23(24(27)28)22(16-5-2)20(3)25/h11,14,21-23,26H,4-10,12-13,15-19H2,1-3H3,(H,27,28)/p-1/b14-11+