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

Systemtic Name: methyl 3-[1-(2-methoxyphenyl)-3-methylsulfonyloxy-2-oxidanyl-propyl]sulfanylpropanoate Openeye Name: methyl 3-[2-hydroxy-1-(2-methoxyphenyl)-3-methylsulfonyloxy-propyl]sulfanylpropanoate CAS Name: 3-[[2-hydroxy-1-(2-methoxyphenyl)-3-methylsulfonyloxypropyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-hydroxy-1-(2-methoxyphenyl)-3-methylsulfonyloxypropyl]sulfanylpropanoate Traditional Name: 3-[[2-hydroxy-1-(2-methoxyphenyl)-3-methylsulfonyloxy-propyl]thio]propionic acid methyl ester Formula: C15H22O7S2 MolecularWeight: 378.46098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C(COS(=O)(=O)C)O)SCCC(=O)OC

Isomeric SMILES

COC1=CC=CC=C1C(C(COS(=O)(=O)C)O)SCCC(=O)OC

InChI

InChI=1S/C15H22O7S2/c1-20-13-7-5-4-6-11(13)15(23-9-8-14(17)21-2)12(16)10-22-24(3,18)19/h4-7,12,15-16H,8-10H2,1-3H3