4-hexyl-3-[2-(oxan-2-yloxy)-2-(4-phenoxyphenyl)ethyl]oxetan-2-one

Systemtic Name: 4-hexyl-3-[2-(oxan-2-yloxy)-2-(4-phenoxyphenyl)ethyl]oxetan-2-one Openeye Name: 4-hexyl-3-[2-(4-phenoxyphenyl)-2-tetrahydropyran-2-yloxy-ethyl]oxetan-2-one CAS Name: 4-hexyl-3-[2-(2-oxanyloxy)-2-(4-phenoxyphenyl)ethyl]-2-oxetanone IUPAC Name: 4-hexyl-3-[2-(oxan-2-yloxy)-2-(4-phenoxyphenyl)ethyl]oxetan-2-one Traditional Name: 4-hexyl-3-[2-(4-phenoxyphenyl)-2-tetrahydropyran-2-yloxy-ethyl]oxetan-2-one Formula: C28H36O5 MolecularWeight: 452.58244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(C(=O)O1)CC(C2=CC=C(C=C2)OC3=CC=CC=C3)OC4CCCCO4

Isomeric SMILES

CCCCCCC1C(C(=O)O1)CC(C2=CC=C(C=C2)OC3=CC=CC=C3)OC4CCCCO4

InChI

InChI=1S/C28H36O5/c1-2-3-4-8-13-25-24(28(29)33-25)20-26(32-27-14-9-10-19-30-27)21-15-17-23(18-16-21)31-22-11-6-5-7-12-22/h5-7,11-12,15-18,24-27H,2-4,8-10,13-14,19-20H2,1H3