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(E)-2-ethyl-5-(oxan-2-yloxy)-3-oxidanyl-docos-13-enoic acid

(E)-2-ethyl-5-(oxan-2-yloxy)-3-oxidanyl-docos-13-enoic acid

Systemtic Name:(E)-2-ethyl-5-(oxan-2-yloxy)-3-oxidanyl-docos-13-enoic acid
Openeye Name:(E)-2-ethyl-3-hydroxy-5-tetrahydropyran-2-yloxy-docos-13-enoic acid
CAS Name:(E)-2-ethyl-3-hydroxy-5-(2-oxanyloxy)-13-docosenoic acid
IUPAC Name:(E)-2-ethyl-3-hydroxy-5-(oxan-2-yloxy)docos-13-enoic acid
Traditional Name:(E)-2-ethyl-3-hydroxy-5-tetrahydropyran-2-yloxy-docos-13-enoic acid
Formula: C29H54O5
MolecularWeight: 482.73606
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(CC(C(CC)C(=O)O)O)OC1CCCCO1


Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(CC(C(CC)C(=O)O)O)OC1CCCCO1


InChI

InChI=1S/C29H54O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25(34-28-22-19-20-23-33-28)24-27(30)26(4-2)29(31)32/h11-12,25-28,30H,3-10,13-24H2,1-2H3,(H,31,32)/b12-11+


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