trimethyl (E,2S,3R)-2-oxidanyl-12-oxidanylidene-nonadec-4-ene-1,2,3-tricarboxylate

Systemtic Name: trimethyl (E,2S,3R)-2-oxidanyl-12-oxidanylidene-nonadec-4-ene-1,2,3-tricarboxylate Openeye Name: trimethyl (E,2S,3R)-2-hydroxy-12-oxo-nonadec-4-ene-1,2,3-tricarboxylate CAS Name: (E,2S,3R)-2-hydroxy-12-oxo-4-nonadecene-1,2,3-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl (E,2S,3R)-2-hydroxy-12-oxononadec-4-ene-1,2,3-tricarboxylate Traditional Name: (E,2S,3R)-2-hydroxy-12-keto-nonadec-4-ene-1,2,3-tricarboxylic acid trimethyl ester Formula: C25H42O8 MolecularWeight: 470.59618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC(=O)CCCCCC/C=C/[C@@H](C(=O)OC)[C@@](CC(=O)OC)(C(=O)OC)O

InChI

InChI=1S/C25H42O8/c1-5-6-7-10-13-16-20(26)17-14-11-8-9-12-15-18-21(23(28)32-3)25(30,24(29)33-4)19-22(27)31-2/h15,18,21,30H,5-14,16-17,19H2,1-4H3/b18-15+/t21-,25-/m0/s1