(3,5-dimethoxyphenyl) (2R,3S,4R)-2-methyl-3-oxidanyl-4-phenylsulfanyl-heptanoate

Systemtic Name: (3,5-dimethoxyphenyl) (2R,3S,4R)-2-methyl-3-oxidanyl-4-phenylsulfanyl-heptanoate Openeye Name: (3,5-dimethoxyphenyl) (2R,3S,4R)-3-hydroxy-2-methyl-4-phenylsulfanyl-heptanoate CAS Name: (2R,3S,4R)-3-hydroxy-2-methyl-4-(phenylthio)heptanoic acid (3,5-dimethoxyphenyl) ester IUPAC Name: (3,5-dimethoxyphenyl) (2R,3S,4R)-3-hydroxy-2-methyl-4-phenylsulfanylheptanoate Traditional Name: (2R,3S,4R)-3-hydroxy-2-methyl-4-(phenylthio)enanthic acid (3,5-dimethoxyphenyl) ester Formula: C22H28O5S MolecularWeight: 404.51972

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(C)C(=O)OC1=CC(=CC(=C1)OC)OC)O)SC2=CC=CC=C2

Isomeric SMILES

CCC[C@H]([C@H]([C@@H](C)C(=O)OC1=CC(=CC(=C1)OC)OC)O)SC2=CC=CC=C2

InChI

InChI=1S/C22H28O5S/c1-5-9-20(28-19-10-7-6-8-11-19)21(23)15(2)22(24)27-18-13-16(25-3)12-17(14-18)26-4/h6-8,10-15,20-21,23H,5,9H2,1-4H3/t15-,20-,21+/m1/s1