ethyl (12E,15E)-3-(2,2-diethoxyethyl)-3-oxidanyl-henicosa-12,15-dienoate

Systemtic Name: ethyl (12E,15E)-3-(2,2-diethoxyethyl)-3-oxidanyl-henicosa-12,15-dienoate Openeye Name: ethyl (12E,15E)-3-(2,2-diethoxyethyl)-3-hydroxy-henicosa-12,15-dienoate CAS Name: (12E,15E)-3-(2,2-diethoxyethyl)-3-hydroxyheneicosa-12,15-dienoic acid ethyl ester IUPAC Name: ethyl (12E,15E)-3-(2,2-diethoxyethyl)-3-hydroxyhenicosa-12,15-dienoate Traditional Name: (12E,15E)-3-(2,2-diethoxyethyl)-3-hydroxy-heneicosa-12,15-dienoic acid ethyl ester Formula: C29H54O5 MolecularWeight: 482.73606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCCC(CC(OCC)OCC)(CC(=O)OCC)O

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCCC(CC(OCC)OCC)(CC(=O)OCC)O

InChI

InChI=1S/C29H54O5/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(31,25-27(30)32-6-2)26-28(33-7-3)34-8-4/h12-13,15-16,28,31H,5-11,14,17-26H2,1-4H3/b13-12+,16-15+