(E)-2-[4,5-bis(oxidanyl)-3-oxidanylidene-pentanoyl]-12-oxidanyl-octadec-9-enoate

Systemtic Name: (E)-2-[4,5-bis(oxidanyl)-3-oxidanylidene-pentanoyl]-12-oxidanyl-octadec-9-enoate Openeye Name: (E)-2-(4,5-dihydroxy-3-oxo-pentanoyl)-12-hydroxy-octadec-9-enoate CAS Name: (E)-2-(4,5-dihydroxy-1,3-dioxopentyl)-12-hydroxy-9-octadecenoate IUPAC Name: (E)-2-(4,5-dihydroxy-3-oxopentanoyl)-12-hydroxyoctadec-9-enoate Traditional Name: (E)-2-(4,5-dihydroxy-3-keto-pentanoyl)-12-hydroxy-octadec-9-enoate Formula: C23H39O7- MolecularWeight: 427.55156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCC(C(=O)CC(=O)C(CO)O)C(=O)[O-])O

InChI

InChI=1S/C23H40O7/c1-2-3-4-10-13-18(25)14-11-8-6-5-7-9-12-15-19(23(29)30)20(26)16-21(27)22(28)17-24/h8,11,18-19,22,24-25,28H,2-7,9-10,12-17H2,1H3,(H,29,30)/p-1/b11-8+