methyl 3-[4-(1-hydroxyethyl)phenyl]sulfonylpropanoate

Systemtic Name: methyl 3-[4-(1-hydroxyethyl)phenyl]sulfonylpropanoate Openeye Name: methyl 3-[4-(1-hydroxyethyl)phenyl]sulfonylpropanoate CAS Name: 3-[4-(1-hydroxyethyl)phenyl]sulfonylpropanoic acid methyl ester IUPAC Name: methyl 3-[4-(1-hydroxyethyl)phenyl]sulfonylpropanoate Traditional Name: 3-[4-(1-hydroxyethyl)phenyl]sulfonylpropionic acid methyl ester Formula: C12H16O5S MolecularWeight: 272.31744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC)O

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC)O

InChI

InChI=1S/C12H16O5S/c1-9(13)10-3-5-11(6-4-10)18(15,16)8-7-12(14)17-2/h3-6,9,13H,7-8H2,1-2H3