3-[(E)-12-methoxynonadec-9-enoyl]oxy-2-oxidanyl-4-oxidanylidene-pentanoic acid

Systemtic Name: 3-[(E)-12-methoxynonadec-9-enoyl]oxy-2-oxidanyl-4-oxidanylidene-pentanoic acid Openeye Name: 2-hydroxy-3-[(E)-12-methoxynonadec-9-enoyl]oxy-4-oxo-pentanoic acid CAS Name: 2-hydroxy-3-[(E)-12-methoxy-1-oxononadec-9-enoxy]-4-oxopentanoic acid IUPAC Name: 2-hydroxy-3-[(E)-12-methoxynonadec-9-enoyl]oxy-4-oxopentanoic acid Traditional Name: 2-hydroxy-4-keto-3-[(E)-12-methoxynonadec-9-enoyl]oxy-valeric acid Formula: C25H44O7 MolecularWeight: 456.61266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC=CCCCCCCCC(=O)OC(C(C(=O)O)O)C(=O)C)OC

Isomeric SMILES

CCCCCCCC(C/C=C/CCCCCCCC(=O)OC(C(C(=O)O)O)C(=O)C)OC

InChI

InChI=1S/C25H44O7/c1-4-5-6-11-14-17-21(31-3)18-15-12-9-7-8-10-13-16-19-22(27)32-24(20(2)26)23(28)25(29)30/h12,15,21,23-24,28H,4-11,13-14,16-19H2,1-3H3,(H,29,30)/b15-12+