methyl 3-[3-methylsulfonyloxy-2-oxidanyl-1-(2-phenylmethoxyphenyl)propyl]sulfanylpropanoate

Systemtic Name: methyl 3-[3-methylsulfonyloxy-2-oxidanyl-1-(2-phenylmethoxyphenyl)propyl]sulfanylpropanoate Openeye Name: methyl 3-[1-(2-benzyloxyphenyl)-2-hydroxy-3-methylsulfonyloxy-propyl]sulfanylpropanoate CAS Name: 3-[[2-hydroxy-3-methylsulfonyloxy-1-(2-phenylmethoxyphenyl)propyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-hydroxy-3-methylsulfonyloxy-1-(2-phenylmethoxyphenyl)propyl]sulfanylpropanoate Traditional Name: 3-[[1-(2-benzoxyphenyl)-2-hydroxy-3-methylsulfonyloxy-propyl]thio]propionic acid methyl ester Formula: C21H26O7S2 MolecularWeight: 454.55694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(C1=CC=CC=C1OCC2=CC=CC=C2)C(COS(=O)(=O)C)O

Isomeric SMILES

COC(=O)CCSC(C1=CC=CC=C1OCC2=CC=CC=C2)C(COS(=O)(=O)C)O

InChI

InChI=1S/C21H26O7S2/c1-26-20(23)12-13-29-21(18(22)15-28-30(2,24)25)17-10-6-7-11-19(17)27-14-16-8-4-3-5-9-16/h3-11,18,21-22H,12-15H2,1-2H3