methyl 2-[(E,3S)-6-(oxan-2-yloxy)-1-phenylmethoxy-hex-4-en-3-yl]oxyoctanoate

Systemtic Name: methyl 2-[(E,3S)-6-(oxan-2-yloxy)-1-phenylmethoxy-hex-4-en-3-yl]oxyoctanoate Openeye Name: methyl 2-[(E,1S)-1-(2-benzyloxyethyl)-4-tetrahydropyran-2-yloxy-but-2-enoxy]octanoate CAS Name: 2-[(E,3S)-6-(2-oxanyloxy)-1-phenylmethoxyhex-4-en-3-yl]oxyoctanoic acid methyl ester IUPAC Name: methyl 2-[(E,3S)-6-(oxan-2-yloxy)-1-phenylmethoxyhex-4-en-3-yl]oxyoctanoate Traditional Name: 2-[(E,1S)-1-(2-benzoxyethyl)-4-tetrahydropyran-2-yloxy-but-2-enoxy]caprylic acid methyl ester Formula: C27H42O6 MolecularWeight: 462.61878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OC)OC(CCOCC1=CC=CC=C1)C=CCOC2CCCCO2

Isomeric SMILES

CCCCCCC(C(=O)OC)O[C@@H](CCOCC1=CC=CC=C1)/C=C/COC2CCCCO2

InChI

InChI=1S/C27H42O6/c1-3-4-5-9-16-25(27(28)29-2)33-24(15-12-20-32-26-17-10-11-19-31-26)18-21-30-22-23-13-7-6-8-14-23/h6-8,12-15,24-26H,3-5,9-11,16-22H2,1-2H3/b15-12+/t24-,25?,26?/m1/s1