(3R,6R)-6-hexyl-3-[4-(4-pentylcyclohexyl)phenoxy]oxan-2-one

Systemtic Name: (3R,6R)-6-hexyl-3-[4-(4-pentylcyclohexyl)phenoxy]oxan-2-one Openeye Name: (3R,6R)-6-hexyl-3-[4-(4-pentylcyclohexyl)phenoxy]tetrahydropyran-2-one CAS Name: (3R,6R)-6-hexyl-3-[4-(4-pentylcyclohexyl)phenoxy]-2-oxanone IUPAC Name: (3R,6R)-6-hexyl-3-[4-(4-pentylcyclohexyl)phenoxy]oxan-2-one Traditional Name: (3R,6R)-3-[4-(4-amylcyclohexyl)phenoxy]-6-hexyl-tetrahydropyran-2-one Formula: C28H44O3 MolecularWeight: 428.64716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(C(=O)O1)OC2=CC=C(C=C2)C3CCC(CC3)CCCCC

Isomeric SMILES

CCCCCC[C@@H]1CC[C@H](C(=O)O1)OC2=CC=C(C=C2)C3CCC(CC3)CCCCC

InChI

InChI=1S/C28H44O3/c1-3-5-7-9-11-25-20-21-27(28(29)31-25)30-26-18-16-24(17-19-26)23-14-12-22(13-15-23)10-8-6-4-2/h16-19,22-23,25,27H,3-15,20-21H2,1-2H3/t22?,23?,25-,27-/m1/s1