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[(3aR,7aR)-6-oxidanylidene-2,3,7,7a-tetrahydro-1-benzofuran-3a-yl] octanoate

[(3aR,7aR)-6-oxidanylidene-2,3,7,7a-tetrahydro-1-benzofuran-3a-yl] octanoate

Systemtic Name:[(3aR,7aR)-6-oxidanylidene-2,3,7,7a-tetrahydro-1-benzofuran-3a-yl] octanoate
Openeye Name:[(3aR,7aR)-6-oxo-2,3,7,7a-tetrahydrobenzofuran-3a-yl] octanoate
CAS Name:octanoic acid [(3aR,7aR)-6-oxo-2,3,7,7a-tetrahydrobenzofuran-3a-yl] ester
IUPAC Name:[(3aR,7aR)-6-oxo-2,3,7,7a-tetrahydro-1-benzofuran-3a-yl] octanoate
Traditional Name:caprylic acid [(3aR,7aR)-6-keto-2,3,7,7a-tetrahydrobenzofuran-3a-yl] ester
Formula: C16H24O4
MolecularWeight: 280.35936
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC12CCOC1CC(=O)C=C2


Isomeric SMILES

CCCCCCCC(=O)O[C@@]12CCO[C@@H]1CC(=O)C=C2


InChI

InChI=1S/C16H24O4/c1-2-3-4-5-6-7-15(18)20-16-9-8-13(17)12-14(16)19-11-10-16/h8-9,14H,2-7,10-12H2,1H3/t14-,16+/m1/s1


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