tert-butyl (7E,10E)-2-hexyl-5-(oxan-2-yloxy)-3-oxidanyl-hexadeca-7,10-dienoate

Systemtic Name: tert-butyl (7E,10E)-2-hexyl-5-(oxan-2-yloxy)-3-oxidanyl-hexadeca-7,10-dienoate Openeye Name: tert-butyl (7E,10E)-2-hexyl-3-hydroxy-5-tetrahydropyran-2-yloxy-hexadeca-7,10-dienoate CAS Name: (7E,10E)-2-hexyl-3-hydroxy-5-(2-oxanyloxy)hexadeca-7,10-dienoic acid tert-butyl ester IUPAC Name: tert-butyl (7E,10E)-2-hexyl-3-hydroxy-5-(oxan-2-yloxy)hexadeca-7,10-dienoate Traditional Name: (7E,10E)-2-hexyl-3-hydroxy-5-tetrahydropyran-2-yloxy-hexadeca-7,10-dienoic acid tert-butyl ester Formula: C31H56O5 MolecularWeight: 508.77334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(CC(CC=CCC=CCCCCC)OC1CCCCO1)O)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCC(C(CC(C/C=C/C/C=C/CCCCC)OC1CCCCO1)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H56O5/c1-6-8-10-12-13-14-15-16-17-21-26(35-29-23-19-20-24-34-29)25-28(32)27(22-18-11-9-7-2)30(33)36-31(3,4)5/h13-14,16-17,26-29,32H,6-12,15,18-25H2,1-5H3/b14-13+,17-16+