(2R,5R)-2-[(2R)-octan-2-yl]oxy-5-(phenylmethylsulfanyl)oxan-3-one

Systemtic Name: (2R,5R)-2-[(2R)-octan-2-yl]oxy-5-(phenylmethylsulfanyl)oxan-3-one Openeye Name: (2R,5R)-5-benzylsulfanyl-2-[(1R)-1-methylheptoxy]tetrahydropyran-3-one CAS Name: (2R,5R)-2-[(2R)-octan-2-yl]oxy-5-(phenylmethylthio)-3-oxanone IUPAC Name: (2R,5R)-5-benzylsulfanyl-2-[(2R)-octan-2-yl]oxyoxan-3-one Traditional Name: (2R,5R)-5-(benzylthio)-2-[(1R)-1-methylheptoxy]tetrahydropyran-3-one Formula: C20H30O3S MolecularWeight: 350.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1C(=O)CC(CO1)SCC2=CC=CC=C2

Isomeric SMILES

CCCCCC[C@@H](C)O[C@@H]1C(=O)C[C@H](CO1)SCC2=CC=CC=C2

InChI

InChI=1S/C20H30O3S/c1-3-4-5-7-10-16(2)23-20-19(21)13-18(14-22-20)24-15-17-11-8-6-9-12-17/h6,8-9,11-12,16,18,20H,3-5,7,10,13-15H2,1-2H3/t16-,18-,20-/m1/s1